6-[2-[[3-[[5-chloro-4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]methyl]-3-methylcyclopentyl]oxymethyl]imidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile

C47H43ClN12O — CID 137389387

IUPAC6-[2-[[3-[[5-chloro-4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]methyl]-3-methylcyclopentyl]oxymethyl]imidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
SMILESCC1(Cn2cc(-c3ccc(C#N)nc3-c3ccn4cc(COC5CCC(C)(Cn6ncc(-c7ccc(C#N)nc7-c7ccn8ccnc8c7)c6Cl)C5)nc4c3)cn2)CCCC1
InChIInChI=1S/C47H43ClN12O/c1-46(12-3-4-13-46)29-59-26-33(24-52-59)38-7-5-34(22-49)55-43(38)32-11-17-58-27-36(54-42(58)20-32)28-61-37-9-14-47(2,21-37)30-60-45(48)40(25-53-60)39-8-6-35(23-50)56-44(39)31-10-16-57-18-15-51-41(57)19-31/h5-8,10-11,15-20,24-27,37H,3-4,9,12-14,21,28-30H2,1-2H3
InChIKeyAKQKPYVNOXWWGA-UHFFFAOYSA-N
MW827.40 g/mol
LogP9.59
Rot. Bonds11

About 6-[2-[[3-[[5-chloro-4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]methyl]-3-methylcyclopentyl]oxymethyl]imidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile

6-[2-[[3-[[5-chloro-4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]methyl]-3-methylcyclopentyl]oxymethyl]imidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile (PubChem CID 137389387) has the molecular formula C47H43ClN12O and a molecular weight of 827.40 g/mol. Its IUPAC name is 6-[2-[[3-[[5-chloro-4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]methyl]-3-methylcyclopentyl]oxymethyl]imidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[2-[[3-[[5-chloro-4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]methyl]-3-methylcyclopentyl]oxymethyl]imidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
PubChem CID137389387
Molecular FormulaC47H43ClN12O
Molecular Weight827.40 g/mol
Exact Mass826.34
IUPAC Name6-[2-[[3-[[5-chloro-4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]methyl]-3-methylcyclopentyl]oxymethyl]imidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
SMILESCC1(Cn2cc(-c3ccc(C#N)nc3-c3ccn4cc(COC5CCC(C)(Cn6ncc(-c7ccc(C#N)nc7-c7ccn8ccnc8c7)c6Cl)C5)nc4c3)cn2)CCCC1
InChIInChI=1S/C47H43ClN12O/c1-46(12-3-4-13-46)29-59-26-33(24-52-59)38-7-5-34(22-49)55-43(38)32-11-17-58-27-36(54-42(58)20-32)28-61-37-9-14-47(2,21-37)30-60-45(48)40(25-53-60)39-8-6-35(23-50)56-44(39)31-10-16-57-18-15-51-41(57)19-31/h5-8,10-11,15-20,24-27,37H,3-4,9,12-14,21,28-30H2,1-2H3
InChIKeyAKQKPYVNOXWWGA-UHFFFAOYSA-N
XLogP9.59
TPSA152.83 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500827.40
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 6-[2-[[3-[[5-chloro-4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]methyl]-3-methylcyclopentyl]oxymethyl]imidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile with MolForge

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Related Compounds

5-[1-[(2,2-difluoro-1-methylcyclopropyl)methyl]pyrazol-4-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
CID 137373899
6-imidazo[1,2-a]pyridin-7-yl-5-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374015
6-(3-chloroquinolin-7-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374153
6-chloro-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 129285789
6-(2-chloro-1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374374
6-(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137371251
5-[1-[[(3R,4R)-3,4-difluorocyclopentyl]methyl]pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile
CID 137374130
3-fluoro-6-(1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374234
6-[2-(2-fluoroethyl)-3-oxo-1H-isoindol-5-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 129285848
5-[2-(cyclopropylmethyl)-1,3-oxazol-5-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
CID 137373800
5-[1-(2-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-(2-methylimidazo[1,2-a]pyridin-7-yl)pyridine-2-carbonitrile
CID 137371520
5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
CID 137374261

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[3-[[5-chloro-4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]methyl]-3-methylcyclopentyl]oxymethyl]imidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[2-[[3-[[5-chloro-4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]methyl]-3-methylcyclopentyl]oxymethyl]imidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile (CID 137389387) is 6-[2-[[3-[[5-chloro-4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]methyl]-3-methylcyclopentyl]oxymethyl]imidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[2-[[3-[[5-chloro-4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]methyl]-3-methylcyclopentyl]oxymethyl]imidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[2-[[3-[[5-chloro-4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]methyl]-3-methylcyclopentyl]oxymethyl]imidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile is CC1(Cn2cc(-c3ccc(C#N)nc3-c3ccn4cc(COC5CCC(C)(Cn6ncc(-c7ccc(C#N)nc7-c7ccn8ccnc8c7)c6Cl)C5)nc4c3)cn2)CCCC1.
What is the InChIKey of 6-[2-[[3-[[5-chloro-4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]methyl]-3-methylcyclopentyl]oxymethyl]imidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
The InChIKey is AKQKPYVNOXWWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H43ClN12O/c1-46(12-3-4-13-46)29-59-26-33(24-52-59)38-7-5-34(22-49)55-43(38)32-11-17-58-27-36(54-42(58)20-32)28-61-37-9-14-47(2,21-37)30-60-45(48)40(25-53-60)39-8-6-35(23-50)56-44(39)31-10-16-57-18-15-51-41(57)19-31/h5-8,10-11,15-20,24-27,37H,3-4,9,12-14,21,28-30H2,1-2H3.
What are the key properties of 6-[2-[[3-[[5-chloro-4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]methyl]-3-methylcyclopentyl]oxymethyl]imidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
6-[2-[[3-[[5-chloro-4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]methyl]-3-methylcyclopentyl]oxymethyl]imidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile has a molecular weight of 827.40 g/mol, XLogP of 9.59, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[3-[[5-chloro-4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]methyl]-3-methylcyclopentyl]oxymethyl]imidazo[1,2-a]pyridin-7-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 137389387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).