Pf06869206
Properties
- Molecular formula
- C15H14ClF3N4O2
- Molar mass
- 374.75 g/mol
- Exact mass
- 374.0757 Da
- logP
- 2.61Crippen estimate
- Polar surface area
- 85.2 Ų
- H-bond donors / acceptors
- 2 / 5
- Rotatable bonds
- 2
- Stereocentres
- Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
2227425-05-8SMILES
CC1=C(C2=C(N1)C(=C(C(=N2)C(F)(F)F)C#N)N3CCO[C@@H](C3)CO)ClInChIKey
ATFQBBCQZKVZJN-QMMMGPOBSA-NInChI
InChI=1S/C15H14ClF3N4O2/c1-7-10(16)11-12(21-7)13(23-2-3-25-8(5-23)6-24)9(4-20)14(22-11)15(17,18)19/h8,21,24H,2-3,5-6H2,1H3/t8-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- (s)-3-Chloro-7-(2-(hydroxymethyl)morpholino)-2-methyl-5-(trifluoromethyl)-1h-pyrrolo[3,2-b]pyridine-6-carbonitrile