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

C28H29N9O2S — CID 134456460

IUPAC6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile
SMILESCc1nc2nc(Nc3ccc(C(C)C)c(C#N)n3)cc(Nc3ccc(-c4cnn(C)c4C)cc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C28H29N9O2S/c1-15(2)19-8-10-25(34-23(19)13-29)35-26-12-22(27-28(36-26)32-17(4)31-27)33-21-9-7-18(11-24(21)40(6,38)39)20-14-30-37(5)16(20)3/h7-12,14-15H,1-6H3,(H3,31,32,33,34,35,36)
InChIKeyZNIWSNAJEXFFGM-UHFFFAOYSA-N
MW555.67 g/mol
LogP5.26
Rot. Bonds7

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

6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile (PubChem CID 134456460) has the molecular formula C28H29N9O2S and a molecular weight of 555.67 g/mol. Its IUPAC name is 6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile
PubChem CID134456460
Molecular FormulaC28H29N9O2S
Molecular Weight555.67 g/mol
Exact Mass555.22
IUPAC Name6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile
SMILESCc1nc2nc(Nc3ccc(C(C)C)c(C#N)n3)cc(Nc3ccc(-c4cnn(C)c4C)cc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C28H29N9O2S/c1-15(2)19-8-10-25(34-23(19)13-29)35-26-12-22(27-28(36-26)32-17(4)31-27)33-21-9-7-18(11-24(21)40(6,38)39)20-14-30-37(5)16(20)3/h7-12,14-15H,1-6H3,(H3,31,32,33,34,35,36)
InChIKeyZNIWSNAJEXFFGM-UHFFFAOYSA-N
XLogP5.26
TPSA154.27 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.67
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-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-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile?
The IUPAC name of 6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile (CID 134456460) is 6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile.
What is the SMILES notation for 6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile?
The canonical SMILES for 6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile is Cc1nc2nc(Nc3ccc(C(C)C)c(C#N)n3)cc(Nc3ccc(-c4cnn(C)c4C)cc3S(C)(=O)=O)c2[nH]1.
What is the InChIKey of 6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile?
The InChIKey is ZNIWSNAJEXFFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N9O2S/c1-15(2)19-8-10-25(34-23(19)13-29)35-26-12-22(27-28(36-26)32-17(4)31-27)33-21-9-7-18(11-24(21)40(6,38)39)20-14-30-37(5)16(20)3/h7-12,14-15H,1-6H3,(H3,31,32,33,34,35,36).
What are the key properties of 6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile?
6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile has a molecular weight of 555.67 g/mol, XLogP of 5.26, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile is sourced from PubChem (CID 134456460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).