7-N-[4-(1-cyclopropylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine

C26H25F2N9O2S — CID 134455600

IUPAC7-N-[4-(1-cyclopropylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCc1cc(Nc2cc(Nc3ccc(-c4ccn(C5CC5)n4)cc3S(C)(=O)=O)c3[nH]c(C(F)F)nc3n2)nc(C)n1
InChIInChI=1S/C26H25F2N9O2S/c1-13-10-21(30-14(2)29-13)32-22-12-19(23-25(33-22)35-26(34-23)24(27)28)31-18-7-4-15(11-20(18)40(3,38)39)17-8-9-37(36-17)16-5-6-16/h4,7-12,16,24H,5-6H2,1-3H3,(H3,29,30,31,32,33,34,35)
InChIKeyBFTHIMKMUCWRQY-UHFFFAOYSA-N
MW565.61 g/mol
LogP5.39
Rot. Bonds8

About 7-N-[4-(1-cyclopropylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine

7-N-[4-(1-cyclopropylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134455600) has the molecular formula C26H25F2N9O2S and a molecular weight of 565.61 g/mol. Its IUPAC name is 7-N-[4-(1-cyclopropylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name7-N-[4-(1-cyclopropylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
PubChem CID134455600
Molecular FormulaC26H25F2N9O2S
Molecular Weight565.61 g/mol
Exact Mass565.18
IUPAC Name7-N-[4-(1-cyclopropylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCc1cc(Nc2cc(Nc3ccc(-c4ccn(C5CC5)n4)cc3S(C)(=O)=O)c3[nH]c(C(F)F)nc3n2)nc(C)n1
InChIInChI=1S/C26H25F2N9O2S/c1-13-10-21(30-14(2)29-13)32-22-12-19(23-25(33-22)35-26(34-23)24(27)28)31-18-7-4-15(11-20(18)40(3,38)39)17-8-9-37(36-17)16-5-6-16/h4,7-12,16,24H,5-6H2,1-3H3,(H3,29,30,31,32,33,34,35)
InChIKeyBFTHIMKMUCWRQY-UHFFFAOYSA-N
XLogP5.39
TPSA143.37 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.61
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 7-N-[4-(1-cyclopropylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine 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 7-N-[4-(1-cyclopropylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The IUPAC name of 7-N-[4-(1-cyclopropylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134455600) is 7-N-[4-(1-cyclopropylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine.
What is the SMILES notation for 7-N-[4-(1-cyclopropylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The canonical SMILES for 7-N-[4-(1-cyclopropylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine is Cc1cc(Nc2cc(Nc3ccc(-c4ccn(C5CC5)n4)cc3S(C)(=O)=O)c3[nH]c(C(F)F)nc3n2)nc(C)n1.
What is the InChIKey of 7-N-[4-(1-cyclopropylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The InChIKey is BFTHIMKMUCWRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N9O2S/c1-13-10-21(30-14(2)29-13)32-22-12-19(23-25(33-22)35-26(34-23)24(27)28)31-18-7-4-15(11-20(18)40(3,38)39)17-8-9-37(36-17)16-5-6-16/h4,7-12,16,24H,5-6H2,1-3H3,(H3,29,30,31,32,33,34,35).
What are the key properties of 7-N-[4-(1-cyclopropylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine?
7-N-[4-(1-cyclopropylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 565.61 g/mol, XLogP of 5.39, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[4-(1-cyclopropylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134455600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).