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

C28H27F2N9O2S — CID 134456422

IUPAC6-[[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile
SMILESCc1c(-c2ccc(Nc3cc(Nc4ccc(C(C)C)c(C#N)n4)nc4nc(C(F)F)[nH]c34)c(S(C)(=O)=O)c2)cnn1C
InChIInChI=1S/C28H27F2N9O2S/c1-14(2)17-7-9-23(34-21(17)12-31)35-24-11-20(25-27(36-24)38-28(37-25)26(29)30)33-19-8-6-16(10-22(19)42(5,40)41)18-13-32-39(4)15(18)3/h6-11,13-14,26H,1-5H3,(H3,33,34,35,36,37,38)
InChIKeyGWNOBRTVFBAPCC-UHFFFAOYSA-N
MW591.65 g/mol
LogP5.89
Rot. Bonds8

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

6-[[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile (PubChem CID 134456422) has the molecular formula C28H27F2N9O2S and a molecular weight of 591.65 g/mol. Its IUPAC name is 6-[[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile
PubChem CID134456422
Molecular FormulaC28H27F2N9O2S
Molecular Weight591.65 g/mol
Exact Mass591.20
IUPAC Name6-[[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile
SMILESCc1c(-c2ccc(Nc3cc(Nc4ccc(C(C)C)c(C#N)n4)nc4nc(C(F)F)[nH]c34)c(S(C)(=O)=O)c2)cnn1C
InChIInChI=1S/C28H27F2N9O2S/c1-14(2)17-7-9-23(34-21(17)12-31)35-24-11-20(25-27(36-24)38-28(37-25)26(29)30)33-19-8-6-16(10-22(19)42(5,40)41)18-13-32-39(4)15(18)3/h6-11,13-14,26H,1-5H3,(H3,33,34,35,36,37,38)
InChIKeyGWNOBRTVFBAPCC-UHFFFAOYSA-N
XLogP5.89
TPSA154.27 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.65
LogP ≤ 55.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile?
The IUPAC name of 6-[[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile (CID 134456422) is 6-[[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-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-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile?
The canonical SMILES for 6-[[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile is Cc1c(-c2ccc(Nc3cc(Nc4ccc(C(C)C)c(C#N)n4)nc4nc(C(F)F)[nH]c34)c(S(C)(=O)=O)c2)cnn1C.
What is the InChIKey of 6-[[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile?
The InChIKey is GWNOBRTVFBAPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N9O2S/c1-14(2)17-7-9-23(34-21(17)12-31)35-24-11-20(25-27(36-24)38-28(37-25)26(29)30)33-19-8-6-16(10-22(19)42(5,40)41)18-13-32-39(4)15(18)3/h6-11,13-14,26H,1-5H3,(H3,33,34,35,36,37,38).
What are the key properties of 6-[[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile?
6-[[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile has a molecular weight of 591.65 g/mol, XLogP of 5.89, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile is sourced from PubChem (CID 134456422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).