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

C24H19FN4O2S — CID 11282252

IUPACN-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-(4-thiophen-2-ylphenyl)-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(-c3cccs3)cc2)CC(=O)N1
InChIInChI=1S/C24H19FN4O2S/c1-13-23(24(31)28-20-9-16-12-26-29-19(16)11-18(20)25)17(10-22(30)27-13)14-4-6-15(7-5-14)21-3-2-8-32-21/h2-9,11-12,17H,10H2,1H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyXDZUYZADDCSAGL-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.95
Rot. Bonds4

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

N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-(4-thiophen-2-ylphenyl)-3,4-dihydro-1H-pyridine-5-carboxamide (PubChem CID 11282252) has the molecular formula C24H19FN4O2S and a molecular weight of 446.51 g/mol. Its IUPAC name is N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-(4-thiophen-2-ylphenyl)-3,4-dihydro-1H-pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-(4-thiophen-2-ylphenyl)-3,4-dihydro-1H-pyridine-5-carboxamide
PubChem CID11282252
Molecular FormulaC24H19FN4O2S
Molecular Weight446.51 g/mol
Exact Mass446.12
IUPAC NameN-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-(4-thiophen-2-ylphenyl)-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(-c3cccs3)cc2)CC(=O)N1
InChIInChI=1S/C24H19FN4O2S/c1-13-23(24(31)28-20-9-16-12-26-29-19(16)11-18(20)25)17(10-22(30)27-13)14-4-6-15(7-5-14)21-3-2-8-32-21/h2-9,11-12,17H,10H2,1H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyXDZUYZADDCSAGL-UHFFFAOYSA-N
XLogP4.95
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-(4-thiophen-2-ylphenyl)-3,4-dihydro-1H-pyridine-5-carboxamide?
The IUPAC name of N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-(4-thiophen-2-ylphenyl)-3,4-dihydro-1H-pyridine-5-carboxamide (CID 11282252) is N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-(4-thiophen-2-ylphenyl)-3,4-dihydro-1H-pyridine-5-carboxamide.
What is the SMILES notation for N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-(4-thiophen-2-ylphenyl)-3,4-dihydro-1H-pyridine-5-carboxamide?
The canonical SMILES for N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-(4-thiophen-2-ylphenyl)-3,4-dihydro-1H-pyridine-5-carboxamide is CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(-c3cccs3)cc2)CC(=O)N1.
What is the InChIKey of N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-(4-thiophen-2-ylphenyl)-3,4-dihydro-1H-pyridine-5-carboxamide?
The InChIKey is XDZUYZADDCSAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2S/c1-13-23(24(31)28-20-9-16-12-26-29-19(16)11-18(20)25)17(10-22(30)27-13)14-4-6-15(7-5-14)21-3-2-8-32-21/h2-9,11-12,17H,10H2,1H3,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-(4-thiophen-2-ylphenyl)-3,4-dihydro-1H-pyridine-5-carboxamide?
N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-(4-thiophen-2-ylphenyl)-3,4-dihydro-1H-pyridine-5-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 4.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-(4-thiophen-2-ylphenyl)-3,4-dihydro-1H-pyridine-5-carboxamide is sourced from PubChem (CID 11282252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).