Motesanib diphosphate

C22H26N5O5PCAS 857876-30-3471.45 g/mol

Open in Covalent MOL file
HNHNONNHNOPOHOHHO
PhosphateSecondary amine

Properties

Molecular formula
C22H26N5O5P
Molar mass
471.45 g/mol
Exact mass
471.1672 Da
logP
3.50Crippen estimate
Polar surface area
160.2 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
857876-30-3
SMILES
CC1(C)CNc2cc(N=C(O)c3cccnc3NCc3ccncc3)ccc21.O=P(O)(O)O
InChIKey
UJMNMHXUOCSCFT-UHFFFAOYSA-N
InChI
InChI=1S/C22H23N5O.H3O4P/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15;1-5(2,3)4/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28);(H3,1,2,3,4)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • 3-Pyridinecarboxamide, N-(2,3-dihydro-3,3-dimethyl-1H-indol-6-yl)-2-[(4-pyridinylmethyl)amino]-, phosphate (1:2)
  • AMG 706

Work with Motesanib diphosphate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Motesanib453562-69-1Free base

Similar compounds

Nsi-189 phosphate1270138-41-434 % similar 5,11-Dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one885-70-132 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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