(2S)-2-(3-fluorophenyl)-N-(1-methylindazol-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide

C20H17FN4O2 — CID 59377808

IUPAC(2S)-2-(3-fluorophenyl)-N-(1-methylindazol-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide
SMILESCn1ncc2ccc(NC(=O)N3C=CC(=O)C[C@H]3c3cccc(F)c3)cc21
InChIInChI=1S/C20H17FN4O2/c1-24-18-10-16(6-5-14(18)12-22-24)23-20(27)25-8-7-17(26)11-19(25)13-3-2-4-15(21)9-13/h2-10,12,19H,11H2,1H3,(H,23,27)/t19-/m0/s1
InChIKeyCKBJYVVPBDSOMD-IBGZPJMESA-N
MW364.38 g/mol
LogP3.77
Rot. Bonds2

About (2S)-2-(3-fluorophenyl)-N-(1-methylindazol-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide

(2S)-2-(3-fluorophenyl)-N-(1-methylindazol-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide (PubChem CID 59377808) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is (2S)-2-(3-fluorophenyl)-N-(1-methylindazol-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3-fluorophenyl)-N-(1-methylindazol-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide
PubChem CID59377808
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name(2S)-2-(3-fluorophenyl)-N-(1-methylindazol-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide
SMILESCn1ncc2ccc(NC(=O)N3C=CC(=O)C[C@H]3c3cccc(F)c3)cc21
InChIInChI=1S/C20H17FN4O2/c1-24-18-10-16(6-5-14(18)12-22-24)23-20(27)25-8-7-17(26)11-19(25)13-3-2-4-15(21)9-13/h2-10,12,19H,11H2,1H3,(H,23,27)/t19-/m0/s1
InChIKeyCKBJYVVPBDSOMD-IBGZPJMESA-N
XLogP3.77
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(1-methylindazol-6-yl)benzamide
CID 110462740
(2S)-1-[2-(4,5-dimethoxy-2-methylphenyl)acetyl]-2-(3-fluorophenyl)-2,3-dihydropyridin-4-one
CID 46831207
N-(1-methylindazol-6-yl)-5-oxopyrrolidine-2-carboxamide
CID 110462131
2-[3-[[(2S)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]-2-methylphenyl]acetic acid
CID 46832070
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 50746912
N-(1-methylindazol-6-yl)pyridine-3-carboxamide
CID 110461644
(2S)-2-(4-fluorophenyl)-N-(7-methylquinolin-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide
CID 59377771
ethyl 4-[(1-methylindazol-6-yl)carbamoyl]piperazine-1-carboxylate
CID 72889347
N-(2,5-difluorophenyl)-1-methylindazol-6-amine
CID 82536145
3-methyl-N-(1-methylindazol-6-yl)butanamide
CID 110460673
N-(4-cyano-1-methylpyrazol-5-yl)-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 97257664
2-(3,5-difluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxylic acid
CID 68604414

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-fluorophenyl)-N-(1-methylindazol-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
The IUPAC name of (2S)-2-(3-fluorophenyl)-N-(1-methylindazol-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide (CID 59377808) is (2S)-2-(3-fluorophenyl)-N-(1-methylindazol-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide.
What is the SMILES notation for (2S)-2-(3-fluorophenyl)-N-(1-methylindazol-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
The canonical SMILES for (2S)-2-(3-fluorophenyl)-N-(1-methylindazol-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide is Cn1ncc2ccc(NC(=O)N3C=CC(=O)C[C@H]3c3cccc(F)c3)cc21.
What is the InChIKey of (2S)-2-(3-fluorophenyl)-N-(1-methylindazol-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
The InChIKey is CKBJYVVPBDSOMD-IBGZPJMESA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-24-18-10-16(6-5-14(18)12-22-24)23-20(27)25-8-7-17(26)11-19(25)13-3-2-4-15(21)9-13/h2-10,12,19H,11H2,1H3,(H,23,27)/t19-/m0/s1.
What are the key properties of (2S)-2-(3-fluorophenyl)-N-(1-methylindazol-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
(2S)-2-(3-fluorophenyl)-N-(1-methylindazol-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-fluorophenyl)-N-(1-methylindazol-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide is sourced from PubChem (CID 59377808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).