5-[3-(3-cyano-2-pyridinyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-quinolin-4-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide

C85H57F9N14O3 — CID 157274530

IUPAC5-[3-(3-cyano-2-pyridinyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-quinolin-4-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccnn5)ncc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ccnc6ccccc56)ncc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ncccc5C#N)ncc34)ccc2C(F)(F)F)cc1
InChIInChI=1S/C31H21F3N4O.C28H18F3N5O.C26H18F3N5O/c1-19-8-11-21(12-9-19)37-30(39)25-17-20(10-13-26(25)31(32,33)34)22-6-4-16-38-28(22)18-36-29(38)24-14-15-35-27-7-3-2-5-23(24)27;1-17-6-9-20(10-7-17)35-27(37)22-14-18(8-11-23(22)28(29,30)31)21-5-3-13-36-24(21)16-34-26(36)25-19(15-32)4-2-12-33-25;1-16-6-9-18(10-7-16)32-25(35)20-14-17(8-11-21(20)26(27,28)29)19-4-3-13-34-23(19)15-30-24(34)22-5-2-12-31-33-22/h2-18H,1H3,(H,37,39);2-14,16H,1H3,(H,35,37);2-15H,1H3,(H,32,35)
InChIKeyAYXYUSHHRCVVTA-UHFFFAOYSA-N
MW1493.47 g/mol
LogP20.35
Rot. Bonds12

About 5-[3-(3-cyano-2-pyridinyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-quinolin-4-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide

5-[3-(3-cyano-2-pyridinyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-quinolin-4-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide (PubChem CID 157274530) has the molecular formula C85H57F9N14O3 and a molecular weight of 1493.47 g/mol. Its IUPAC name is 5-[3-(3-cyano-2-pyridinyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-quinolin-4-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-[3-(3-cyano-2-pyridinyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-quinolin-4-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
PubChem CID157274530
Molecular FormulaC85H57F9N14O3
Molecular Weight1493.47 g/mol
Exact Mass1492.46
IUPAC Name5-[3-(3-cyano-2-pyridinyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-quinolin-4-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccnn5)ncc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ccnc6ccccc56)ncc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ncccc5C#N)ncc34)ccc2C(F)(F)F)cc1
InChIInChI=1S/C31H21F3N4O.C28H18F3N5O.C26H18F3N5O/c1-19-8-11-21(12-9-19)37-30(39)25-17-20(10-13-26(25)31(32,33)34)22-6-4-16-38-28(22)18-36-29(38)24-14-15-35-27-7-3-2-5-23(24)27;1-17-6-9-20(10-7-17)35-27(37)22-14-18(8-11-23(22)28(29,30)31)21-5-3-13-36-24(21)16-34-26(36)25-19(15-32)4-2-12-33-25;1-16-6-9-18(10-7-16)32-25(35)20-14-17(8-11-21(20)26(27,28)29)19-4-3-13-34-23(19)15-30-24(34)22-5-2-12-31-33-22/h2-18H,1H3,(H,37,39);2-14,16H,1H3,(H,35,37);2-15H,1H3,(H,32,35)
InChIKeyAYXYUSHHRCVVTA-UHFFFAOYSA-N
XLogP20.35
TPSA214.55 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001493.47
LogP ≤ 520.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 5-[3-(3-cyano-2-pyridinyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-quinolin-4-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-[3-(3-cyano-4-fluorophenyl)-1-methylindol-6-yl]-3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzamide
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3-cyano-N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]benzamide;3,3,3-trifluoro-N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)-(3,3,3-trifluoropropanoyl)amino]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]propanamide
CID 87152389
N-[4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzamide
CID 88996442
4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3-[4-[2-(4-imidazol-1-ylanilino)pyrimidin-4-yl]pyrazol-1-yl]butanenitrile;3-[3-(dimethylamino)propylamino]-N-[6-methyl-5-(9H-pyrimido[4,5-b]indol-7-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide
CID 89905037
3-[[6-(3,3-difluoropyrrolidin-1-yl)-1-[[2-[[6-(3,3-difluoropyrrolidin-1-yl)pyrimido[5,4-d]pyrimidin-4-yl]amino]-4-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]methyl]pyrimido[5,4-d]pyrimidin-1-ium-4-yl]amino]-4-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 90992497
N-[6-[3-[1-(2-cyanoethyl)piperidin-4-yl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]quinoline-4-carboxamide
CID 118538754
[3-[[2-[2-[4,4-Difluoro-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carbonyl]-4-methylphenyl]triazol-4-yl]methyl]-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 123233507
4-[2-[2-[2-[2-[5-[2-[2-fluoro-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]ethynyl]quinazolin-2-yl]-4-(methylamino)quinazolin-7-yl]ethynyl]-4-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]phenyl]ethyl]-3-[2-[2-(methylamino)quinazolin-5-yl]ethynyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 123397507
3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N-[4-[[4-[7-[4-[[4-[[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoyl]amino]-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-3,5-dioxoheptyl]piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 126550922
4-[8-amino-3-[(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]-4-[6-[(1-methylpyrazol-4-yl)amino]-1-[[3-(prop-2-enoylamino)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 132216460
3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N-[4-[[4-[[4-[[4-[[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoyl]amino]-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide
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N-[3-[5-[6-[4-[4-amino-3-[2-cyano-5-[6-[4-(4-piperidin-4-ylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]piperidine-1-carbonyl]phenyl]imidazo[1,2-a]pyridin-3-yl]-2-cyanophenyl]-1-[4-[(3Z)-4-[5-(4-cyanophenyl)-1-methylimidazol-2-yl]buta-1,3-dien-2-yl]benzoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-cyano-2-pyridinyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-quinolin-4-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 5-[3-(3-cyano-2-pyridinyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-quinolin-4-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide (CID 157274530) is 5-[3-(3-cyano-2-pyridinyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-quinolin-4-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-[3-(3-cyano-2-pyridinyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-quinolin-4-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 5-[3-(3-cyano-2-pyridinyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-quinolin-4-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccnn5)ncc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ccnc6ccccc56)ncc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ncccc5C#N)ncc34)ccc2C(F)(F)F)cc1.
What is the InChIKey of 5-[3-(3-cyano-2-pyridinyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-quinolin-4-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is AYXYUSHHRCVVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21F3N4O.C28H18F3N5O.C26H18F3N5O/c1-19-8-11-21(12-9-19)37-30(39)25-17-20(10-13-26(25)31(32,33)34)22-6-4-16-38-28(22)18-36-29(38)24-14-15-35-27-7-3-2-5-23(24)27;1-17-6-9-20(10-7-17)35-27(37)22-14-18(8-11-23(22)28(29,30)31)21-5-3-13-36-24(21)16-34-26(36)25-19(15-32)4-2-12-33-25;1-16-6-9-18(10-7-16)32-25(35)20-14-17(8-11-21(20)26(27,28)29)19-4-3-13-34-23(19)15-30-24(34)22-5-2-12-31-33-22/h2-18H,1H3,(H,37,39);2-14,16H,1H3,(H,35,37);2-15H,1H3,(H,32,35).
What are the key properties of 5-[3-(3-cyano-2-pyridinyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-quinolin-4-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide?
5-[3-(3-cyano-2-pyridinyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-quinolin-4-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 1493.47 g/mol, XLogP of 20.35, 12 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-cyano-2-pyridinyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-quinolin-4-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 157274530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).