(3R)-3-fluoro-N-[2-(2-fluoro-6-methoxyphenyl)-1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl]cyclopropene-1-carboxamide

C20H17F2N3O2 — CID 170239317

IUPAC(3R)-3-fluoro-N-[2-(2-fluoro-6-methoxyphenyl)-1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl]cyclopropene-1-carboxamide
SMILESCOc1cccc(F)c1-c1c(C)c2cnc(NC(=O)C3=C[C@H]3F)cc2n1C
InChIInChI=1S/C20H17F2N3O2/c1-10-12-9-23-17(24-20(26)11-7-14(11)22)8-15(12)25(2)19(10)18-13(21)5-4-6-16(18)27-3/h4-9,14H,1-3H3,(H,23,24,26)/t14-/m1/s1
InChIKeyBKLZSFWNVHEXFA-CQSZACIVSA-N
MW369.37 g/mol
LogP3.91
Rot. Bonds4

About (3R)-3-fluoro-N-[2-(2-fluoro-6-methoxyphenyl)-1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl]cyclopropene-1-carboxamide

(3R)-3-fluoro-N-[2-(2-fluoro-6-methoxyphenyl)-1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl]cyclopropene-1-carboxamide (PubChem CID 170239317) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is (3R)-3-fluoro-N-[2-(2-fluoro-6-methoxyphenyl)-1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl]cyclopropene-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-fluoro-N-[2-(2-fluoro-6-methoxyphenyl)-1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl]cyclopropene-1-carboxamide
PubChem CID170239317
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name(3R)-3-fluoro-N-[2-(2-fluoro-6-methoxyphenyl)-1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl]cyclopropene-1-carboxamide
SMILESCOc1cccc(F)c1-c1c(C)c2cnc(NC(=O)C3=C[C@H]3F)cc2n1C
InChIInChI=1S/C20H17F2N3O2/c1-10-12-9-23-17(24-20(26)11-7-14(11)22)8-15(12)25(2)19(10)18-13(21)5-4-6-16(18)27-3/h4-9,14H,1-3H3,(H,23,24,26)/t14-/m1/s1
InChIKeyBKLZSFWNVHEXFA-CQSZACIVSA-N
XLogP3.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-aminopiperidin-1-yl)-1,2-dimethylbenzimidazol-5-yl]-3-fluoro-2-(2-fluoro-6-methoxyphenyl)pyridine-4-carboxamide
CID 168988755
4-fluoro-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide
CID 134328024
3-amino-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridine-1-carboxylic acid
CID 134328250
N-tert-butyl-5-(2-fluoro-6-methoxyphenyl)furan-2-carboxamide
CID 56707703
2-(2-fluoro-6-methoxyphenyl)-N-(7-fluoro-1-methyl-4-pyridin-3-ylindazol-5-yl)pyrimidine-4-carboxamide
CID 139413981
N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
CID 1449581
cis-(1S,2S)-2-fluoro-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropane-1-carboxamide
CID 163252292
N-(2,6-difluorophenyl)-5-(3,4-dimethoxyanilino)pyrazine-2-carboxamide
CID 109293971
N-(2,6-difluorophenyl)-2-(2,4-dimethoxyanilino)pyrimidine-5-carboxamide
CID 109269969
N-[5-(3-fluoroanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113035879
3-(3-bromoanilino)-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridine-1-carboxylic acid
CID 134329138
N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-6-(2-fluoro-6-methoxyphenyl)-5-formyl-1-methylpyrrolo[3,2-b]pyridine-3-carboxamide
CID 168865854

Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-N-[2-(2-fluoro-6-methoxyphenyl)-1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl]cyclopropene-1-carboxamide?
The IUPAC name of (3R)-3-fluoro-N-[2-(2-fluoro-6-methoxyphenyl)-1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl]cyclopropene-1-carboxamide (CID 170239317) is (3R)-3-fluoro-N-[2-(2-fluoro-6-methoxyphenyl)-1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl]cyclopropene-1-carboxamide.
What is the SMILES notation for (3R)-3-fluoro-N-[2-(2-fluoro-6-methoxyphenyl)-1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl]cyclopropene-1-carboxamide?
The canonical SMILES for (3R)-3-fluoro-N-[2-(2-fluoro-6-methoxyphenyl)-1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl]cyclopropene-1-carboxamide is COc1cccc(F)c1-c1c(C)c2cnc(NC(=O)C3=C[C@H]3F)cc2n1C.
What is the InChIKey of (3R)-3-fluoro-N-[2-(2-fluoro-6-methoxyphenyl)-1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl]cyclopropene-1-carboxamide?
The InChIKey is BKLZSFWNVHEXFA-CQSZACIVSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c1-10-12-9-23-17(24-20(26)11-7-14(11)22)8-15(12)25(2)19(10)18-13(21)5-4-6-16(18)27-3/h4-9,14H,1-3H3,(H,23,24,26)/t14-/m1/s1.
What are the key properties of (3R)-3-fluoro-N-[2-(2-fluoro-6-methoxyphenyl)-1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl]cyclopropene-1-carboxamide?
(3R)-3-fluoro-N-[2-(2-fluoro-6-methoxyphenyl)-1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl]cyclopropene-1-carboxamide has a molecular weight of 369.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-N-[2-(2-fluoro-6-methoxyphenyl)-1,3-dimethylpyrrolo[3,2-c]pyridin-6-yl]cyclopropene-1-carboxamide is sourced from PubChem (CID 170239317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).