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

C25H21F5N8O2S — CID 134455988

IUPAC2-(difluoromethyl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCc1cc(-c2ccc(Nc3cc(Nc4cccc(C(F)(F)F)n4)nc4nc(C(F)F)[nH]c34)c(S(C)(=O)=O)c2)nn1C
InChIInChI=1S/C25H21F5N8O2S/c1-12-9-15(37-38(12)2)13-7-8-14(17(10-13)41(3,39)40)31-16-11-20(34-23-21(16)35-24(36-23)22(26)27)33-19-6-4-5-18(32-19)25(28,29)30/h4-11,22H,1-3H3,(H3,31,32,33,34,35,36)
InChIKeyKSKBWYXKTSDWOA-UHFFFAOYSA-N
MW592.55 g/mol
LogP5.91
Rot. Bonds7

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

2-(difluoromethyl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134455988) has the molecular formula C25H21F5N8O2S and a molecular weight of 592.55 g/mol. Its IUPAC name is 2-(difluoromethyl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
PubChem CID134455988
Molecular FormulaC25H21F5N8O2S
Molecular Weight592.55 g/mol
Exact Mass592.14
IUPAC Name2-(difluoromethyl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCc1cc(-c2ccc(Nc3cc(Nc4cccc(C(F)(F)F)n4)nc4nc(C(F)F)[nH]c34)c(S(C)(=O)=O)c2)nn1C
InChIInChI=1S/C25H21F5N8O2S/c1-12-9-15(37-38(12)2)13-7-8-14(17(10-13)41(3,39)40)31-16-11-20(34-23-21(16)35-24(36-23)22(26)27)33-19-6-4-5-18(32-19)25(28,29)30/h4-11,22H,1-3H3,(H3,31,32,33,34,35,36)
InChIKeyKSKBWYXKTSDWOA-UHFFFAOYSA-N
XLogP5.91
TPSA130.48 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.55
LogP ≤ 55.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-(difluoromethyl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-[6-(trifluoromethyl)-2-pyridinyl]-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 2-(difluoromethyl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The IUPAC name of 2-(difluoromethyl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134455988) is 2-(difluoromethyl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine.
What is the SMILES notation for 2-(difluoromethyl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The canonical SMILES for 2-(difluoromethyl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is Cc1cc(-c2ccc(Nc3cc(Nc4cccc(C(F)(F)F)n4)nc4nc(C(F)F)[nH]c34)c(S(C)(=O)=O)c2)nn1C.
What is the InChIKey of 2-(difluoromethyl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The InChIKey is KSKBWYXKTSDWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F5N8O2S/c1-12-9-15(37-38(12)2)13-7-8-14(17(10-13)41(3,39)40)31-16-11-20(34-23-21(16)35-24(36-23)22(26)27)33-19-6-4-5-18(32-19)25(28,29)30/h4-11,22H,1-3H3,(H3,31,32,33,34,35,36).
What are the key properties of 2-(difluoromethyl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
2-(difluoromethyl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 592.55 g/mol, XLogP of 5.91, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134455988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).