(1R)-2,2-difluoro-N-[2-methyl-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide

C22H23F2N5O4S — CID 134455420

IUPAC(1R)-2,2-difluoro-N-[2-methyl-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide
SMILESCc1nc2nc(NC(=O)[C@H]3CC3(F)F)cc(Nc3ccc([C@@H]4CCCO4)cc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C22H23F2N5O4S/c1-11-25-19-15(9-18(28-20(19)26-11)29-21(30)13-10-22(13,23)24)27-14-6-5-12(16-4-3-7-33-16)8-17(14)34(2,31)32/h5-6,8-9,13,16H,3-4,7,10H2,1-2H3,(H3,25,26,27,28,29,30)/t13-,16+/m1/s1
InChIKeyXVNZGJSVYMOTFX-CJNGLKHVSA-N
MW491.52 g/mol
LogP3.86
Rot. Bonds6

About (1R)-2,2-difluoro-N-[2-methyl-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide

(1R)-2,2-difluoro-N-[2-methyl-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide (PubChem CID 134455420) has the molecular formula C22H23F2N5O4S and a molecular weight of 491.52 g/mol. Its IUPAC name is (1R)-2,2-difluoro-N-[2-methyl-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-difluoro-N-[2-methyl-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide
PubChem CID134455420
Molecular FormulaC22H23F2N5O4S
Molecular Weight491.52 g/mol
Exact Mass491.14
IUPAC Name(1R)-2,2-difluoro-N-[2-methyl-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide
SMILESCc1nc2nc(NC(=O)[C@H]3CC3(F)F)cc(Nc3ccc([C@@H]4CCCO4)cc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C22H23F2N5O4S/c1-11-25-19-15(9-18(28-20(19)26-11)29-21(30)13-10-22(13,23)24)27-14-6-5-12(16-4-3-7-33-16)8-17(14)34(2,31)32/h5-6,8-9,13,16H,3-4,7,10H2,1-2H3,(H3,25,26,27,28,29,30)/t13-,16+/m1/s1
InChIKeyXVNZGJSVYMOTFX-CJNGLKHVSA-N
XLogP3.86
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.52
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (1R)-2,2-difluoro-N-[2-methyl-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-N-[2-methyl-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-difluoro-N-[2-methyl-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide (CID 134455420) is (1R)-2,2-difluoro-N-[2-methyl-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-difluoro-N-[2-methyl-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-difluoro-N-[2-methyl-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide is Cc1nc2nc(NC(=O)[C@H]3CC3(F)F)cc(Nc3ccc([C@@H]4CCCO4)cc3S(C)(=O)=O)c2[nH]1.
What is the InChIKey of (1R)-2,2-difluoro-N-[2-methyl-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide?
The InChIKey is XVNZGJSVYMOTFX-CJNGLKHVSA-N. The full InChI is InChI=1S/C22H23F2N5O4S/c1-11-25-19-15(9-18(28-20(19)26-11)29-21(30)13-10-22(13,23)24)27-14-6-5-12(16-4-3-7-33-16)8-17(14)34(2,31)32/h5-6,8-9,13,16H,3-4,7,10H2,1-2H3,(H3,25,26,27,28,29,30)/t13-,16+/m1/s1.
What are the key properties of (1R)-2,2-difluoro-N-[2-methyl-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide?
(1R)-2,2-difluoro-N-[2-methyl-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide has a molecular weight of 491.52 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-N-[2-methyl-7-[2-methylsulfonyl-4-[(2S)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134455420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).