N-[5-(difluoromethyl)-2-[[2-(difluoromethyl)-5-[(1-methylpyrazol-3-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfinamide

C20H20F4N8OS — CID 142334101

IUPACN-[5-(difluoromethyl)-2-[[2-(difluoromethyl)-5-[(1-methylpyrazol-3-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfinamide
SMILESCN(c1cc(C(F)F)ccc1Nc1cc(Nc2ccn(C)n2)nc2nc(C(F)F)[nH]c12)S(C)=O
InChIInChI=1S/C20H20F4N8OS/c1-31-7-6-14(30-31)26-15-9-12(16-19(27-15)29-20(28-16)18(23)24)25-11-5-4-10(17(21)22)8-13(11)32(2)34(3)33/h4-9,17-18H,1-3H3,(H3,25,26,27,28,29,30)
InChIKeyNWIPADHXDYVTQG-UHFFFAOYSA-N
MW496.49 g/mol
LogP4.78
Rot. Bonds8

About N-[5-(difluoromethyl)-2-[[2-(difluoromethyl)-5-[(1-methylpyrazol-3-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfinamide

N-[5-(difluoromethyl)-2-[[2-(difluoromethyl)-5-[(1-methylpyrazol-3-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfinamide (PubChem CID 142334101) has the molecular formula C20H20F4N8OS and a molecular weight of 496.49 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-2-[[2-(difluoromethyl)-5-[(1-methylpyrazol-3-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfinamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-2-[[2-(difluoromethyl)-5-[(1-methylpyrazol-3-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfinamide
PubChem CID142334101
Molecular FormulaC20H20F4N8OS
Molecular Weight496.49 g/mol
Exact Mass496.14
IUPAC NameN-[5-(difluoromethyl)-2-[[2-(difluoromethyl)-5-[(1-methylpyrazol-3-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfinamide
SMILESCN(c1cc(C(F)F)ccc1Nc1cc(Nc2ccn(C)n2)nc2nc(C(F)F)[nH]c12)S(C)=O
InChIInChI=1S/C20H20F4N8OS/c1-31-7-6-14(30-31)26-15-9-12(16-19(27-15)29-20(28-16)18(23)24)25-11-5-4-10(17(21)22)8-13(11)32(2)34(3)33/h4-9,17-18H,1-3H3,(H3,25,26,27,28,29,30)
InChIKeyNWIPADHXDYVTQG-UHFFFAOYSA-N
XLogP4.78
TPSA103.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.49
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

cis-(1S,2S)-N-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 134455692
(2S)-N-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 134455921
N-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 134456436
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-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134512758
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
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
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-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456377
N-[2-(difluoromethyl)-7-[4-(3-methylpyrazol-1-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455711
6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile
CID 134456417
cis-(1R,2R)-N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 134455293

Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-2-[[2-(difluoromethyl)-5-[(1-methylpyrazol-3-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfinamide?
The IUPAC name of N-[5-(difluoromethyl)-2-[[2-(difluoromethyl)-5-[(1-methylpyrazol-3-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfinamide (CID 142334101) is N-[5-(difluoromethyl)-2-[[2-(difluoromethyl)-5-[(1-methylpyrazol-3-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfinamide.
What is the SMILES notation for N-[5-(difluoromethyl)-2-[[2-(difluoromethyl)-5-[(1-methylpyrazol-3-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfinamide?
The canonical SMILES for N-[5-(difluoromethyl)-2-[[2-(difluoromethyl)-5-[(1-methylpyrazol-3-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfinamide is CN(c1cc(C(F)F)ccc1Nc1cc(Nc2ccn(C)n2)nc2nc(C(F)F)[nH]c12)S(C)=O.
What is the InChIKey of N-[5-(difluoromethyl)-2-[[2-(difluoromethyl)-5-[(1-methylpyrazol-3-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfinamide?
The InChIKey is NWIPADHXDYVTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N8OS/c1-31-7-6-14(30-31)26-15-9-12(16-19(27-15)29-20(28-16)18(23)24)25-11-5-4-10(17(21)22)8-13(11)32(2)34(3)33/h4-9,17-18H,1-3H3,(H3,25,26,27,28,29,30).
What are the key properties of N-[5-(difluoromethyl)-2-[[2-(difluoromethyl)-5-[(1-methylpyrazol-3-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfinamide?
N-[5-(difluoromethyl)-2-[[2-(difluoromethyl)-5-[(1-methylpyrazol-3-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfinamide has a molecular weight of 496.49 g/mol, XLogP of 4.78, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-2-[[2-(difluoromethyl)-5-[(1-methylpyrazol-3-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfinamide is sourced from PubChem (CID 142334101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).