N-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

C19H20F2N6O3S — CID 134512758

IUPACN-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCN(c1ccccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12)S(C)(=O)=O
InChIInChI=1S/C19H20F2N6O3S/c1-27(31(2,29)30)13-6-4-3-5-11(13)22-12-9-14(24-19(28)10-7-8-10)23-17-15(12)25-18(26-17)16(20)21/h3-6,9-10,16H,7-8H2,1-2H3,(H3,22,23,24,25,26,28)
InChIKeySVXGYNMASUVRSX-UHFFFAOYSA-N
MW450.47 g/mol
LogP3.38
Rot. Bonds7

About N-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

N-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 134512758) has the molecular formula C19H20F2N6O3S and a molecular weight of 450.47 g/mol. Its IUPAC name is N-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
PubChem CID134512758
Molecular FormulaC19H20F2N6O3S
Molecular Weight450.47 g/mol
Exact Mass450.13
IUPAC NameN-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
SMILESCN(c1ccccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12)S(C)(=O)=O
InChIInChI=1S/C19H20F2N6O3S/c1-27(31(2,29)30)13-6-4-3-5-11(13)22-12-9-14(24-19(28)10-7-8-10)23-17-15(12)25-18(26-17)16(20)21/h3-6,9-10,16H,7-8H2,1-2H3,(H3,22,23,24,25,26,28)
InChIKeySVXGYNMASUVRSX-UHFFFAOYSA-N
XLogP3.38
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[2-(difluoromethyl)-5-(1,3-dihydrofuro[3,4-c]pyridin-6-ylamino)-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide
CID 134512736
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
N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-[methyl(methylsulfanyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;ethane
CID 142335087
5-chloro-2-[[5-(cyclopropanecarbonylamino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]benzenesulfinic acid
CID 163814155
N-[2-(difluoromethyl)-7-[4-(3-methylpyrazol-1-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455711
N-[7-(4-cyclopropyl-2-dimethylphosphorylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455781
N-[2-(difluoromethyl)-7-[4-(1,4-dioxan-2-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456300
N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-(N,S-dimethylsulfonimidoyl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 142334432
N-[7-(4-cyclobutyl-2-dimethylphosphanylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide;ethane
CID 142334720
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-[4-(1,5-dimethylpyrazol-3-yl)-2-(ethylsulfonylamino)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134495636
N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456377

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 134512758) is N-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is CN(c1ccccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12)S(C)(=O)=O.
What is the InChIKey of N-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
The InChIKey is SVXGYNMASUVRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O3S/c1-27(31(2,29)30)13-6-4-3-5-11(13)22-12-9-14(24-19(28)10-7-8-10)23-17-15(12)25-18(26-17)16(20)21/h3-6,9-10,16H,7-8H2,1-2H3,(H3,22,23,24,25,26,28).
What are the key properties of N-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?
N-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 450.47 g/mol, XLogP of 3.38, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethyl)-7-[2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134512758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).