5-[1-[[2-[[6-[5-cyano-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)-2-methylpyridine-3-carbonitrile

C50H49N13O — CID 137388839

IUPAC5-[1-[[2-[[6-[5-cyano-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)-2-methylpyridine-3-carbonitrile
SMILESCOc1cc2ccc(-c3nc(C)c(C#N)cc3-c3cnn(CC4(C)CCCC4Cn4cnc5cc(-c6nc(C)c(C#N)cc6-c6cnn(CC7(C)CCCC7)c6)cnc54)c3)cc2nn1
InChIInChI=1S/C50H49N13O/c1-31-35(20-51)15-41(46(57-31)34-11-10-33-19-45(64-5)60-59-43(33)17-34)39-24-56-63(26-39)29-50(4)14-8-9-40(50)27-61-30-54-44-18-37(22-53-48(44)61)47-42(16-36(21-52)32(2)58-47)38-23-55-62(25-38)28-49(3)12-6-7-13-49/h10-11,15-19,22-26,30,40H,6-9,12-14,27-29H2,1-5H3
InChIKeyFGDNCSTYWGDNHE-UHFFFAOYSA-N
MW848.03 g/mol
LogP9.68
Rot. Bonds11

About 5-[1-[[2-[[6-[5-cyano-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)-2-methylpyridine-3-carbonitrile

5-[1-[[2-[[6-[5-cyano-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)-2-methylpyridine-3-carbonitrile (PubChem CID 137388839) has the molecular formula C50H49N13O and a molecular weight of 848.03 g/mol. Its IUPAC name is 5-[1-[[2-[[6-[5-cyano-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)-2-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[1-[[2-[[6-[5-cyano-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)-2-methylpyridine-3-carbonitrile
PubChem CID137388839
Molecular FormulaC50H49N13O
Molecular Weight848.03 g/mol
Exact Mass847.42
IUPAC Name5-[1-[[2-[[6-[5-cyano-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)-2-methylpyridine-3-carbonitrile
SMILESCOc1cc2ccc(-c3nc(C)c(C#N)cc3-c3cnn(CC4(C)CCCC4Cn4cnc5cc(-c6nc(C)c(C#N)cc6-c6cnn(CC7(C)CCCC7)c6)cnc54)c3)cc2nn1
InChIInChI=1S/C50H49N13O/c1-31-35(20-51)15-41(46(57-31)34-11-10-33-19-45(64-5)60-59-43(33)17-34)39-24-56-63(26-39)29-50(4)14-8-9-40(50)27-61-30-54-44-18-37(22-53-48(44)61)47-42(16-36(21-52)32(2)58-47)38-23-55-62(25-38)28-49(3)12-6-7-13-49/h10-11,15-19,22-26,30,40H,6-9,12-14,27-29H2,1-5H3
InChIKeyFGDNCSTYWGDNHE-UHFFFAOYSA-N
XLogP9.68
TPSA174.72 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500848.03
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 5-[1-[[2-[[6-[5-cyano-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)-2-methylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[2-[[6-[5-cyano-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)-2-methylpyridine-3-carbonitrile?
The IUPAC name of 5-[1-[[2-[[6-[5-cyano-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)-2-methylpyridine-3-carbonitrile (CID 137388839) is 5-[1-[[2-[[6-[5-cyano-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)-2-methylpyridine-3-carbonitrile.
What is the SMILES notation for 5-[1-[[2-[[6-[5-cyano-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)-2-methylpyridine-3-carbonitrile?
The canonical SMILES for 5-[1-[[2-[[6-[5-cyano-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)-2-methylpyridine-3-carbonitrile is COc1cc2ccc(-c3nc(C)c(C#N)cc3-c3cnn(CC4(C)CCCC4Cn4cnc5cc(-c6nc(C)c(C#N)cc6-c6cnn(CC7(C)CCCC7)c6)cnc54)c3)cc2nn1.
What is the InChIKey of 5-[1-[[2-[[6-[5-cyano-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)-2-methylpyridine-3-carbonitrile?
The InChIKey is FGDNCSTYWGDNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H49N13O/c1-31-35(20-51)15-41(46(57-31)34-11-10-33-19-45(64-5)60-59-43(33)17-34)39-24-56-63(26-39)29-50(4)14-8-9-40(50)27-61-30-54-44-18-37(22-53-48(44)61)47-42(16-36(21-52)32(2)58-47)38-23-55-62(25-38)28-49(3)12-6-7-13-49/h10-11,15-19,22-26,30,40H,6-9,12-14,27-29H2,1-5H3.
What are the key properties of 5-[1-[[2-[[6-[5-cyano-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)-2-methylpyridine-3-carbonitrile?
5-[1-[[2-[[6-[5-cyano-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)-2-methylpyridine-3-carbonitrile has a molecular weight of 848.03 g/mol, XLogP of 9.68, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[2-[[6-[5-cyano-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1-methylcyclopentyl]methyl]pyrazol-4-yl]-6-(3-methoxycinnolin-7-yl)-2-methylpyridine-3-carbonitrile is sourced from PubChem (CID 137388839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).