N-[1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-3,5-bis(difluoromethyl)benzamide

C23H16F4N6O — CID 166107257

IUPACN-[1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-3,5-bis(difluoromethyl)benzamide
SMILESCC(NC(=O)c1cc(C(F)F)cc(C(F)F)c1)c1nc2cccnc2n1-c1ccc(C#N)cn1
InChIInChI=1S/C23H16F4N6O/c1-12(31-23(34)16-8-14(19(24)25)7-15(9-16)20(26)27)21-32-17-3-2-6-29-22(17)33(21)18-5-4-13(10-28)11-30-18/h2-9,11-12,19-20H,1H3,(H,31,34)
InChIKeyLQCPZFNKEOKRRE-UHFFFAOYSA-N
MW468.41 g/mol
LogP5.05
Rot. Bonds6

About N-[1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-3,5-bis(difluoromethyl)benzamide

N-[1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-3,5-bis(difluoromethyl)benzamide (PubChem CID 166107257) has the molecular formula C23H16F4N6O and a molecular weight of 468.41 g/mol. Its IUPAC name is N-[1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-3,5-bis(difluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-3,5-bis(difluoromethyl)benzamide
PubChem CID166107257
Molecular FormulaC23H16F4N6O
Molecular Weight468.41 g/mol
Exact Mass468.13
IUPAC NameN-[1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-3,5-bis(difluoromethyl)benzamide
SMILESCC(NC(=O)c1cc(C(F)F)cc(C(F)F)c1)c1nc2cccnc2n1-c1ccc(C#N)cn1
InChIInChI=1S/C23H16F4N6O/c1-12(31-23(34)16-8-14(19(24)25)7-15(9-16)20(26)27)21-32-17-3-2-6-29-22(17)33(21)18-5-4-13(10-28)11-30-18/h2-9,11-12,19-20H,1H3,(H,31,34)
InChIKeyLQCPZFNKEOKRRE-UHFFFAOYSA-N
XLogP5.05
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.41
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-3,5-bis(difluoromethyl)benzamide with MolForge

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Related Compounds

1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethylcarbamic acid
CID 174216623
6-[2-[1-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpyridine-3-carboxamide
CID 166107265
N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-3,4,5-trifluorobenzamide
CID 162496253
3,5-dichloro-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 162496214
3-bromo-5-cyano-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 164936065
N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 164936024
N-[1-[5-chloro-2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-3-methyl-5-(trifluoromethyl)benzamide
CID 167677596
N-[1-[2-(5-cyano-2-pyridinyl)-5-cyclopropyl-1,2,4-triazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 162502491
N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-3-fluoro-5-(trifluoromethyl)benzamide;sulfane
CID 163604754
3-bromo-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-5-propan-2-yloxybenzamide
CID 164935942
4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)benzonitrile
CID 59706942
3-bromo-5-chloro-N-[1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 146486802

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-3,5-bis(difluoromethyl)benzamide?
The IUPAC name of N-[1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-3,5-bis(difluoromethyl)benzamide (CID 166107257) is N-[1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-3,5-bis(difluoromethyl)benzamide.
What is the SMILES notation for N-[1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-3,5-bis(difluoromethyl)benzamide?
The canonical SMILES for N-[1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-3,5-bis(difluoromethyl)benzamide is CC(NC(=O)c1cc(C(F)F)cc(C(F)F)c1)c1nc2cccnc2n1-c1ccc(C#N)cn1.
What is the InChIKey of N-[1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-3,5-bis(difluoromethyl)benzamide?
The InChIKey is LQCPZFNKEOKRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N6O/c1-12(31-23(34)16-8-14(19(24)25)7-15(9-16)20(26)27)21-32-17-3-2-6-29-22(17)33(21)18-5-4-13(10-28)11-30-18/h2-9,11-12,19-20H,1H3,(H,31,34).
What are the key properties of N-[1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-3,5-bis(difluoromethyl)benzamide?
N-[1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-3,5-bis(difluoromethyl)benzamide has a molecular weight of 468.41 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-3,5-bis(difluoromethyl)benzamide is sourced from PubChem (CID 166107257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).