6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile

C25H23F2N11O — CID 134456417

IUPAC6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile
SMILESCOc1c(Nc2cc(Nc3ccc(C(C)C)c(C#N)n3)nc3nc(C(F)F)[nH]c23)cccc1-c1nnn(C)n1
InChIInChI=1S/C25H23F2N11O/c1-12(2)13-8-9-18(30-17(13)11-28)31-19-10-16(20-24(32-19)34-25(33-20)22(26)27)29-15-7-5-6-14(21(15)39-4)23-35-37-38(3)36-23/h5-10,12,22H,1-4H3,(H3,29,30,31,32,33,34)
InChIKeyHQZBNJVMBOCPJF-UHFFFAOYSA-N
MW531.53 g/mol
LogP4.97
Rot. Bonds8

About 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile

6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile (PubChem CID 134456417) has the molecular formula C25H23F2N11O and a molecular weight of 531.53 g/mol. Its IUPAC name is 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile
PubChem CID134456417
Molecular FormulaC25H23F2N11O
Molecular Weight531.53 g/mol
Exact Mass531.21
IUPAC Name6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile
SMILESCOc1c(Nc2cc(Nc3ccc(C(C)C)c(C#N)n3)nc3nc(C(F)F)[nH]c23)cccc1-c1nnn(C)n1
InChIInChI=1S/C25H23F2N11O/c1-12(2)13-8-9-18(30-17(13)11-28)31-19-10-16(20-24(32-19)34-25(33-20)22(26)27)29-15-7-5-6-14(21(15)39-4)23-35-37-38(3)36-23/h5-10,12,22H,1-4H3,(H3,29,30,31,32,33,34)
InChIKeyHQZBNJVMBOCPJF-UHFFFAOYSA-N
XLogP4.97
TPSA155.14 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.53
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile with MolForge

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Related Compounds

6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile
CID 134456564
3-(2-hydroxypyrrolidin-1-yl)-6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134455288
6-[[2-(difluoromethyl)-3-iodophosphanyl-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]imidazo[4,5-b]pyridin-5-yl]amino]-3-methylpyrazine-2-carbonitrile
CID 134512793
N'-[amino(methyl)amino]-3-[[5-[(6-cyano-5-propan-2-yl-2-pyridinyl)amino]-2-methyl-2,3-dihydro-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-methoxybenzenecarboximidamide
CID 142334881
6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile
CID 134455673
N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456377
6-[[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile
CID 134456177
6-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one
CID 134438529
5-(5-chloro-1,3-thiazol-2-yl)-4-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-N-(6-methylpyridazin-3-yl)pyridine-2,4-diamine
CID 134579203
N-[5-(cyclopropanecarbonyl)-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide;methane
CID 161137415
N-[5-(difluoromethyl)-2-[[2-(difluoromethyl)-5-[(1-methylpyrazol-3-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfinamide
CID 142334101
7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134456374

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile?
The IUPAC name of 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile (CID 134456417) is 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile.
What is the SMILES notation for 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile?
The canonical SMILES for 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile is COc1c(Nc2cc(Nc3ccc(C(C)C)c(C#N)n3)nc3nc(C(F)F)[nH]c23)cccc1-c1nnn(C)n1.
What is the InChIKey of 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile?
The InChIKey is HQZBNJVMBOCPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N11O/c1-12(2)13-8-9-18(30-17(13)11-28)31-19-10-16(20-24(32-19)34-25(33-20)22(26)27)29-15-7-5-6-14(21(15)39-4)23-35-37-38(3)36-23/h5-10,12,22H,1-4H3,(H3,29,30,31,32,33,34).
What are the key properties of 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile?
6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile has a molecular weight of 531.53 g/mol, XLogP of 4.97, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile is sourced from PubChem (CID 134456417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).