7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-5-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine

C25H29N7O2S — CID 134456075

IUPAC7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-5-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCc1nc2nc(Nc3cc4n(n3)CCCCC4)cc(Nc3ccc(C4CC4)cc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C25H29N7O2S/c1-15-26-24-20(28-19-10-9-17(16-7-8-16)12-21(19)35(2,33)34)14-22(30-25(24)27-15)29-23-13-18-6-4-3-5-11-32(18)31-23/h9-10,12-14,16H,3-8,11H2,1-2H3,(H3,26,27,28,29,30,31)
InChIKeyRWUISQGLEFJAEG-UHFFFAOYSA-N
MW491.62 g/mol
LogP4.96
Rot. Bonds6

About 7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-5-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine

7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-5-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134456075) has the molecular formula C25H29N7O2S and a molecular weight of 491.62 g/mol. Its IUPAC name is 7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-5-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-5-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
PubChem CID134456075
Molecular FormulaC25H29N7O2S
Molecular Weight491.62 g/mol
Exact Mass491.21
IUPAC Name7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-5-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCc1nc2nc(Nc3cc4n(n3)CCCCC4)cc(Nc3ccc(C4CC4)cc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C25H29N7O2S/c1-15-26-24-20(28-19-10-9-17(16-7-8-16)12-21(19)35(2,33)34)14-22(30-25(24)27-15)29-23-13-18-6-4-3-5-11-32(18)31-23/h9-10,12-14,16H,3-8,11H2,1-2H3,(H3,26,27,28,29,30,31)
InChIKeyRWUISQGLEFJAEG-UHFFFAOYSA-N
XLogP4.96
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.62
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-5-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine with MolForge

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Related Compounds

7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134455959
cyclopropyl-[[2-methyl-7-[2-methylsulfonyl-4-(oxan-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]methanol
CID 134455944
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
N-[7-[4-(1-methoxyethyl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456014
N-[7-[4-(3,5-dimethylfuran-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456677
4-(4-cyclopropyl-2-methylsulfonylanilino)-6-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-1H-pyrazolo[3,4-b]pyridin-3-one
CID 134438858
5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134456383
6-[[2-methyl-7-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134455559
N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(3R)-oxan-3-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 134456108
N-[2-(difluoromethyl)-7-[4-(3-methylpyrazol-1-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455711
N-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455410
N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(1,4,5-trimethylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456409

Frequently Asked Questions

What is the IUPAC name of 7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-5-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The IUPAC name of 7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-5-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134456075) is 7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-5-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine.
What is the SMILES notation for 7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-5-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The canonical SMILES for 7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-5-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine is Cc1nc2nc(Nc3cc4n(n3)CCCCC4)cc(Nc3ccc(C4CC4)cc3S(C)(=O)=O)c2[nH]1.
What is the InChIKey of 7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-5-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The InChIKey is RWUISQGLEFJAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2S/c1-15-26-24-20(28-19-10-9-17(16-7-8-16)12-21(19)35(2,33)34)14-22(30-25(24)27-15)29-23-13-18-6-4-3-5-11-32(18)31-23/h9-10,12-14,16H,3-8,11H2,1-2H3,(H3,26,27,28,29,30,31).
What are the key properties of 7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-5-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine?
7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-5-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 491.62 g/mol, XLogP of 4.96, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-5-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134456075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).