N-[(1R)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide;N-[(1S)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide

C42H34Cl2F6N14O2 — CID 160608593

IUPACN-[(1R)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide;N-[(1S)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide
SMILESC[C@@H](NC(=O)c1cc2c(cn1)ncn2C)c1cnc(Nc2ccc(Cl)c(C(F)(F)F)c2)cn1.C[C@H](NC(=O)c1cc2c(cn1)ncn2C)c1cnc(Nc2ccc(Cl)c(C(F)(F)F)c2)cn1
InChIInChI=1S/2C21H17ClF3N7O/c2*1-11(30-20(33)15-6-18-17(8-26-15)29-10-32(18)2)16-7-28-19(9-27-16)31-12-3-4-14(22)13(5-12)21(23,24)25/h2*3-11H,1-2H3,(H,28,31)(H,30,33)/t2*11-/m10/s1
InChIKeyRFFACQUJFOVQIR-FGYXOPSTSA-N
MW951.72 g/mol
LogP9.33
Rot. Bonds10

About N-[(1R)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide;N-[(1S)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide

N-[(1R)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide;N-[(1S)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 160608593) has the molecular formula C42H34Cl2F6N14O2 and a molecular weight of 951.72 g/mol. Its IUPAC name is N-[(1R)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide;N-[(1S)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide;N-[(1S)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide
PubChem CID160608593
Molecular FormulaC42H34Cl2F6N14O2
Molecular Weight951.72 g/mol
Exact Mass950.23
IUPAC NameN-[(1R)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide;N-[(1S)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide
SMILESC[C@@H](NC(=O)c1cc2c(cn1)ncn2C)c1cnc(Nc2ccc(Cl)c(C(F)(F)F)c2)cn1.C[C@H](NC(=O)c1cc2c(cn1)ncn2C)c1cnc(Nc2ccc(Cl)c(C(F)(F)F)c2)cn1
InChIInChI=1S/2C21H17ClF3N7O/c2*1-11(30-20(33)15-6-18-17(8-26-15)29-10-32(18)2)16-7-28-19(9-27-16)31-12-3-4-14(22)13(5-12)21(23,24)25/h2*3-11H,1-2H3,(H,28,31)(H,30,33)/t2*11-/m10/s1
InChIKeyRFFACQUJFOVQIR-FGYXOPSTSA-N
XLogP9.33
TPSA195.24 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500951.72
LogP ≤ 59.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze N-[(1R)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide;N-[(1S)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide with MolForge

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Related Compounds

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4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-chloroimidazo[1,5-a]pyrazin-1-yl]-3-chloro-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 90282975

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide;N-[(1S)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-[(1R)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide;N-[(1S)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide (CID 160608593) is N-[(1R)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide;N-[(1S)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[(1R)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide;N-[(1S)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-[(1R)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide;N-[(1S)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide is C[C@@H](NC(=O)c1cc2c(cn1)ncn2C)c1cnc(Nc2ccc(Cl)c(C(F)(F)F)c2)cn1.C[C@H](NC(=O)c1cc2c(cn1)ncn2C)c1cnc(Nc2ccc(Cl)c(C(F)(F)F)c2)cn1.
What is the InChIKey of N-[(1R)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide;N-[(1S)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is RFFACQUJFOVQIR-FGYXOPSTSA-N. The full InChI is InChI=1S/2C21H17ClF3N7O/c2*1-11(30-20(33)15-6-18-17(8-26-15)29-10-32(18)2)16-7-28-19(9-27-16)31-12-3-4-14(22)13(5-12)21(23,24)25/h2*3-11H,1-2H3,(H,28,31)(H,30,33)/t2*11-/m10/s1.
What are the key properties of N-[(1R)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide;N-[(1S)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide?
N-[(1R)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide;N-[(1S)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 951.72 g/mol, XLogP of 9.33, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide;N-[(1S)-1-[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 160608593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).