5-[1-[[(1S,4S)-2-[7-[6-cyano-3-[1-[[(3S,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-4-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-[1-[(2S,4R)-2-[[4-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-4-fluorocyclopentyl]benzimidazol-5-yl]pyridine-2-carbonitrile

C67H54F4N18 — CID 137388802

IUPAC5-[1-[[(1S,4S)-2-[7-[6-cyano-3-[1-[[(3S,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-4-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-[1-[(2S,4R)-2-[[4-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-4-fluorocyclopentyl]benzimidazol-5-yl]pyridine-2-carbonitrile
SMILESCc1cn2ccc(-c3nc(C#N)ccc3-c3cnn(C[C@@H]4C[C@@H](F)CC4n4cnc5cc(-c6nc(C#N)ccc6-c6cnn(C[C@H]7C[C@H](F)CC7c7cnc8cc(-c9nc(C#N)ccc9-c9cnn(CC%10C[C@H](F)[C@@H](F)C%10)c9)ccn78)c6)ccc54)c3)cc2n1
InChIInChI=1S/C67H54F4N18/c1-38-30-84-12-10-41(20-64(84)80-38)66-55(8-5-51(24-73)82-66)47-28-79-87(36-47)33-44-17-49(69)22-61(44)89-37-76-59-18-40(2-9-60(59)89)65-53(6-3-50(23-72)81-65)46-27-78-86(35-46)32-43-16-48(68)21-56(43)62-29-75-63-19-42(11-13-88(62)63)67-54(7-4-52(25-74)83-67)45-26-77-85(34-45)31-39-14-57(70)58(71)15-39/h2-13,18-20,26-30,34-37,39,43-44,48-49,56-58,61H,14-17,21-22,31-33H2,1H3/t43-,44+,48+,49-,56?,57+,58+,61?/m1/s1
InChIKeyWUIQAWBUHHPKOL-FAEZEMJMSA-N
MW1187.29 g/mol
LogP12.64
Rot. Bonds14

About 5-[1-[[(1S,4S)-2-[7-[6-cyano-3-[1-[[(3S,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-4-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-[1-[(2S,4R)-2-[[4-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-4-fluorocyclopentyl]benzimidazol-5-yl]pyridine-2-carbonitrile

5-[1-[[(1S,4S)-2-[7-[6-cyano-3-[1-[[(3S,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-4-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-[1-[(2S,4R)-2-[[4-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-4-fluorocyclopentyl]benzimidazol-5-yl]pyridine-2-carbonitrile (PubChem CID 137388802) has the molecular formula C67H54F4N18 and a molecular weight of 1187.29 g/mol. Its IUPAC name is 5-[1-[[(1S,4S)-2-[7-[6-cyano-3-[1-[[(3S,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-4-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-[1-[(2S,4R)-2-[[4-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-4-fluorocyclopentyl]benzimidazol-5-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[1-[[(1S,4S)-2-[7-[6-cyano-3-[1-[[(3S,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-4-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-[1-[(2S,4R)-2-[[4-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-4-fluorocyclopentyl]benzimidazol-5-yl]pyridine-2-carbonitrile
PubChem CID137388802
Molecular FormulaC67H54F4N18
Molecular Weight1187.29 g/mol
Exact Mass1186.47
IUPAC Name5-[1-[[(1S,4S)-2-[7-[6-cyano-3-[1-[[(3S,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-4-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-[1-[(2S,4R)-2-[[4-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-4-fluorocyclopentyl]benzimidazol-5-yl]pyridine-2-carbonitrile
SMILESCc1cn2ccc(-c3nc(C#N)ccc3-c3cnn(C[C@@H]4C[C@@H](F)CC4n4cnc5cc(-c6nc(C#N)ccc6-c6cnn(C[C@H]7C[C@H](F)CC7c7cnc8cc(-c9nc(C#N)ccc9-c9cnn(CC%10C[C@H](F)[C@@H](F)C%10)c9)ccn78)c6)ccc54)c3)cc2n1
InChIInChI=1S/C67H54F4N18/c1-38-30-84-12-10-41(20-64(84)80-38)66-55(8-5-51(24-73)82-66)47-28-79-87(36-47)33-44-17-49(69)22-61(44)89-37-76-59-18-40(2-9-60(59)89)65-53(6-3-50(23-72)81-65)46-27-78-86(35-46)32-43-16-48(68)21-56(43)62-29-75-63-19-42(11-13-88(62)63)67-54(7-4-52(25-74)83-67)45-26-77-85(34-45)31-39-14-57(70)58(71)15-39/h2-13,18-20,26-30,34-37,39,43-44,48-49,56-58,61H,14-17,21-22,31-33H2,1H3/t43-,44+,48+,49-,56?,57+,58+,61?/m1/s1
InChIKeyWUIQAWBUHHPKOL-FAEZEMJMSA-N
XLogP12.64
TPSA215.92 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001187.29
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 5-[1-[[(1S,4S)-2-[7-[6-cyano-3-[1-[[(3S,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-4-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-[1-[(2S,4R)-2-[[4-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-4-fluorocyclopentyl]benzimidazol-5-yl]pyridine-2-carbonitrile with MolForge

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Related Compounds

US11168090, Example 42
CID 135242097
3-[[4-[2-[3-fluoro-4-[methyl-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl-methylamino]benzonitrile
CID 132035571
6-[3-[2-[[4-[6-Cyano-2-[3-[2-[[4-[6-cyano-2-[1-[2-[[4-[6-cyano-5-fluoro-2-(3-methylimidazo[4,5-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]benzimidazol-5-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]imidazo[1,2-a]pyridin-7-yl]-5-fluoro-3-pyridinyl]pyrazol-1-yl]methyl]-2-methylcyclopentyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-3-fluoro-5-(1-methylpyrazol-4-yl)pyridine-2-carbonitrile
CID 137388808
6-[6-(Difluoromethyl)-3-(1-methylpyrazol-4-yl)pyridin-2-yl]-3-[3-[[4-[4-fluoro-2-(3-methylimidazo[4,5-b]pyridin-6-yl)pyridin-3-yl]pyrazol-1-yl]methyl]-3-methylcyclopentyl]imidazo[4,5-b]pyridine
CID 137388840
5-[1-[3-Fluoro-5-[5-[5-fluoro-3-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]-2-pyridinyl]-2-methylbenzimidazol-1-yl]-3-methylpentyl]pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile
CID 137389976
1-[2-[[4-(6-Chloro-2-imidazo[1,2-a]pyridin-7-yl-5-methylpyridin-3-yl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)cyclopropyl]-5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-fluoropyridin-2-yl]-2-methylbenzimidazole
CID 137390002
5-[1-[2-[[7-[6-Cyano-3-[1-(3,3,3-trifluoro-2,2-dimethylpropyl)pyrazol-4-yl]pyridin-2-yl]imidazo[1,2-a]pyridin-3-yl]methyl]-2-methylbutyl]pyrazol-4-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
CID 137390422
6-[3-[2-Cyano-3-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]-2-methylpropyl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 137391877
3-Fluoro-7-[3-[1-[[1-fluoro-2-[7-[3-[5-fluoro-1-[[1-fluoro-2-[6-[3-[5-fluoro-1-[[1-fluoro-2-[5-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]benzimidazol-1-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinolin-4-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline
CID 137391920
6-[6-(Difluoromethyl)-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3-[[3-[[4-[4-fluoro-2-(3-methylimidazo[4,5-b]pyridin-6-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-3-methylcyclopentyl]methyl]imidazo[4,5-b]pyridine
CID 137392130
6-[3-[2-Cyano-1-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 142510549
(6R)-6-methyl-3-[[5-[3-methyl-7-(4-pyrazol-1-ylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 153629281

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[(1S,4S)-2-[7-[6-cyano-3-[1-[[(3S,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-4-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-[1-[(2S,4R)-2-[[4-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-4-fluorocyclopentyl]benzimidazol-5-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[1-[[(1S,4S)-2-[7-[6-cyano-3-[1-[[(3S,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-4-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-[1-[(2S,4R)-2-[[4-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-4-fluorocyclopentyl]benzimidazol-5-yl]pyridine-2-carbonitrile (CID 137388802) is 5-[1-[[(1S,4S)-2-[7-[6-cyano-3-[1-[[(3S,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-4-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-[1-[(2S,4R)-2-[[4-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-4-fluorocyclopentyl]benzimidazol-5-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[1-[[(1S,4S)-2-[7-[6-cyano-3-[1-[[(3S,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-4-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-[1-[(2S,4R)-2-[[4-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-4-fluorocyclopentyl]benzimidazol-5-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[1-[[(1S,4S)-2-[7-[6-cyano-3-[1-[[(3S,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-4-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-[1-[(2S,4R)-2-[[4-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-4-fluorocyclopentyl]benzimidazol-5-yl]pyridine-2-carbonitrile is Cc1cn2ccc(-c3nc(C#N)ccc3-c3cnn(C[C@@H]4C[C@@H](F)CC4n4cnc5cc(-c6nc(C#N)ccc6-c6cnn(C[C@H]7C[C@H](F)CC7c7cnc8cc(-c9nc(C#N)ccc9-c9cnn(CC%10C[C@H](F)[C@@H](F)C%10)c9)ccn78)c6)ccc54)c3)cc2n1.
What is the InChIKey of 5-[1-[[(1S,4S)-2-[7-[6-cyano-3-[1-[[(3S,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-4-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-[1-[(2S,4R)-2-[[4-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-4-fluorocyclopentyl]benzimidazol-5-yl]pyridine-2-carbonitrile?
The InChIKey is WUIQAWBUHHPKOL-FAEZEMJMSA-N. The full InChI is InChI=1S/C67H54F4N18/c1-38-30-84-12-10-41(20-64(84)80-38)66-55(8-5-51(24-73)82-66)47-28-79-87(36-47)33-44-17-49(69)22-61(44)89-37-76-59-18-40(2-9-60(59)89)65-53(6-3-50(23-72)81-65)46-27-78-86(35-46)32-43-16-48(68)21-56(43)62-29-75-63-19-42(11-13-88(62)63)67-54(7-4-52(25-74)83-67)45-26-77-85(34-45)31-39-14-57(70)58(71)15-39/h2-13,18-20,26-30,34-37,39,43-44,48-49,56-58,61H,14-17,21-22,31-33H2,1H3/t43-,44+,48+,49-,56?,57+,58+,61?/m1/s1.
What are the key properties of 5-[1-[[(1S,4S)-2-[7-[6-cyano-3-[1-[[(3S,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-4-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-[1-[(2S,4R)-2-[[4-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-4-fluorocyclopentyl]benzimidazol-5-yl]pyridine-2-carbonitrile?
5-[1-[[(1S,4S)-2-[7-[6-cyano-3-[1-[[(3S,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-4-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-[1-[(2S,4R)-2-[[4-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-4-fluorocyclopentyl]benzimidazol-5-yl]pyridine-2-carbonitrile has a molecular weight of 1187.29 g/mol, XLogP of 12.64, 14 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[(1S,4S)-2-[7-[6-cyano-3-[1-[[(3S,4S)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-4-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-[1-[(2S,4R)-2-[[4-[6-cyano-2-(2-methylimidazo[1,2-a]pyridin-7-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-4-fluorocyclopentyl]benzimidazol-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 137388802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).