N-(6-fluoro-1H-indazol-5-yl)-4-(2-fluoro-5-methylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

C21H18F2N4O2 — CID 143097430

IUPACN-(6-fluoro-1H-indazol-5-yl)-4-(2-fluoro-5-methylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2cc(C)ccc2F)CC(=O)N1
InChIInChI=1S/C21H18F2N4O2/c1-10-3-4-15(22)13(5-10)14-7-19(28)25-11(2)20(14)21(29)26-18-6-12-9-24-27-17(12)8-16(18)23/h3-6,8-9,14H,7H2,1-2H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyFGFAFOBFUMEUMU-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.67
Rot. Bonds3

About N-(6-fluoro-1H-indazol-5-yl)-4-(2-fluoro-5-methylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

N-(6-fluoro-1H-indazol-5-yl)-4-(2-fluoro-5-methylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (PubChem CID 143097430) has the molecular formula C21H18F2N4O2 and a molecular weight of 396.40 g/mol. Its IUPAC name is N-(6-fluoro-1H-indazol-5-yl)-4-(2-fluoro-5-methylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1H-indazol-5-yl)-4-(2-fluoro-5-methylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
PubChem CID143097430
Molecular FormulaC21H18F2N4O2
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC NameN-(6-fluoro-1H-indazol-5-yl)-4-(2-fluoro-5-methylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2cc(C)ccc2F)CC(=O)N1
InChIInChI=1S/C21H18F2N4O2/c1-10-3-4-15(22)13(5-10)14-7-19(28)25-11(2)20(14)21(29)26-18-6-12-9-24-27-17(12)8-16(18)23/h3-6,8-9,14H,7H2,1-2H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyFGFAFOBFUMEUMU-UHFFFAOYSA-N
XLogP3.67
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1H-indazol-5-yl)-4-(2-fluoro-5-methylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The IUPAC name of N-(6-fluoro-1H-indazol-5-yl)-4-(2-fluoro-5-methylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (CID 143097430) is N-(6-fluoro-1H-indazol-5-yl)-4-(2-fluoro-5-methylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.
What is the SMILES notation for N-(6-fluoro-1H-indazol-5-yl)-4-(2-fluoro-5-methylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The canonical SMILES for N-(6-fluoro-1H-indazol-5-yl)-4-(2-fluoro-5-methylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2cc(C)ccc2F)CC(=O)N1.
What is the InChIKey of N-(6-fluoro-1H-indazol-5-yl)-4-(2-fluoro-5-methylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The InChIKey is FGFAFOBFUMEUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O2/c1-10-3-4-15(22)13(5-10)14-7-19(28)25-11(2)20(14)21(29)26-18-6-12-9-24-27-17(12)8-16(18)23/h3-6,8-9,14H,7H2,1-2H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of N-(6-fluoro-1H-indazol-5-yl)-4-(2-fluoro-5-methylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
N-(6-fluoro-1H-indazol-5-yl)-4-(2-fluoro-5-methylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide has a molecular weight of 396.40 g/mol, XLogP of 3.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1H-indazol-5-yl)-4-(2-fluoro-5-methylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is sourced from PubChem (CID 143097430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).