(2R)-N-[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide

C19H16FN5O2 — CID 135293094

IUPAC(2R)-N-[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1cc(C#N)ncc1Oc1cc(NC(=O)C2C[C@H]2F)c2ncn(C)c2c1
InChIInChI=1S/C19H16FN5O2/c1-10-3-11(7-21)22-8-17(10)27-12-4-15(24-19(26)13-6-14(13)20)18-16(5-12)25(2)9-23-18/h3-5,8-9,13-14H,6H2,1-2H3,(H,24,26)/t13?,14-/m1/s1
InChIKeyNCYZHYJKFREHQV-ARLHGKGLSA-N
MW365.37 g/mol
LogP3.24
Rot. Bonds4

About (2R)-N-[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide

(2R)-N-[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 135293094) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is (2R)-N-[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID135293094
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name(2R)-N-[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1cc(C#N)ncc1Oc1cc(NC(=O)C2C[C@H]2F)c2ncn(C)c2c1
InChIInChI=1S/C19H16FN5O2/c1-10-3-11(7-21)22-8-17(10)27-12-4-15(24-19(26)13-6-14(13)20)18-16(5-12)25(2)9-23-18/h3-5,8-9,13-14H,6H2,1-2H3,(H,24,26)/t13?,14-/m1/s1
InChIKeyNCYZHYJKFREHQV-ARLHGKGLSA-N
XLogP3.24
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[6-[(6-cyano-4-methyl-3-pyridinyl)-methylamino]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 118235331
cis-(1R,2R)-N-[6-(4-cyano-N,2-dimethylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 126494518
N-[6-[(2,6-difluoro-3-pyridinyl)-methylamino]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 123394929
cis-(1R,2R)-N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-prop-2-enylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 126494871
cis-(1R,2R)-N-[6-(2-chloro-6-fluoro-4-isocyano-N-methylanilino)-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 123171462
N-[6-[(6-cyano-4-ethyl-3-pyridinyl)-methylamino]-1-methylbenzimidazol-4-yl]cyclopropanecarboxamide;5-[[7-(cyclopropanecarbonylamino)-3-methylbenzimidazol-5-yl]-methylamino]-4-ethylpyridine-2-carboxamide
CID 161369378
N-[6-[(3-ethyl-2-fluoro-4-pyridinyl)-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 145234589
cis-(1R,2R)-N-[6-(5-cyano-2-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide;ethane;molecular hydrogen
CID 145234568
(6-cyano-4-methyl-3-pyridinyl) hypofluorite
CID 142338258
4-methyl-5-[3-methyl-7-[[5-(2,2,6,6-tetradeuterio-4-methylpiperazine-1-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
CID 138560280
4-methyl-5-[3-methyl-7-[[5-(trifluoromethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
CID 138571502
cis-(1R,2R)-N-[6-(5-ethynyl-2-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 126494701

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of (2R)-N-[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide (CID 135293094) is (2R)-N-[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for (2R)-N-[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for (2R)-N-[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide is Cc1cc(C#N)ncc1Oc1cc(NC(=O)C2C[C@H]2F)c2ncn(C)c2c1.
What is the InChIKey of (2R)-N-[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is NCYZHYJKFREHQV-ARLHGKGLSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-10-3-11(7-21)22-8-17(10)27-12-4-15(24-19(26)13-6-14(13)20)18-16(5-12)25(2)9-23-18/h3-5,8-9,13-14H,6H2,1-2H3,(H,24,26)/t13?,14-/m1/s1.
What are the key properties of (2R)-N-[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide?
(2R)-N-[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 365.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[6-[(6-cyano-4-methyl-3-pyridinyl)oxy]-1-methylbenzimidazol-4-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 135293094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).