(4S)-4-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide

C26H25FN4O4 — CID 59377491

IUPAC(4S)-4-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCc1ccc(-c2ccc(=O)n(CCO)n2)cc1NC(=O)C1=CN(C)C(=O)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C26H25FN4O4/c1-16-3-4-18(22-9-10-24(33)31(29-22)11-12-32)13-23(16)28-26(35)21-15-30(2)25(34)14-20(21)17-5-7-19(27)8-6-17/h3-10,13,15,20,32H,11-12,14H2,1-2H3,(H,28,35)/t20-/m0/s1
InChIKeyFGZDRAPEMAGUDS-FQEVSTJZSA-N
MW476.51 g/mol
LogP2.82
Rot. Bonds6

About (4S)-4-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide

(4S)-4-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide (PubChem CID 59377491) has the molecular formula C26H25FN4O4 and a molecular weight of 476.51 g/mol. Its IUPAC name is (4S)-4-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name(4S)-4-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
PubChem CID59377491
Molecular FormulaC26H25FN4O4
Molecular Weight476.51 g/mol
Exact Mass476.19
IUPAC Name(4S)-4-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCc1ccc(-c2ccc(=O)n(CCO)n2)cc1NC(=O)C1=CN(C)C(=O)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C26H25FN4O4/c1-16-3-4-18(22-9-10-24(33)31(29-22)11-12-32)13-23(16)28-26(35)21-15-30(2)25(34)14-20(21)17-5-7-19(27)8-6-17/h3-10,13,15,20,32H,11-12,14H2,1-2H3,(H,28,35)/t20-/m0/s1
InChIKeyFGZDRAPEMAGUDS-FQEVSTJZSA-N
XLogP2.82
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4S)-4-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The IUPAC name of (4S)-4-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide (CID 59377491) is (4S)-4-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide.
What is the SMILES notation for (4S)-4-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The canonical SMILES for (4S)-4-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide is Cc1ccc(-c2ccc(=O)n(CCO)n2)cc1NC(=O)C1=CN(C)C(=O)C[C@H]1c1ccc(F)cc1.
What is the InChIKey of (4S)-4-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The InChIKey is FGZDRAPEMAGUDS-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H25FN4O4/c1-16-3-4-18(22-9-10-24(33)31(29-22)11-12-32)13-23(16)28-26(35)21-15-30(2)25(34)14-20(21)17-5-7-19(27)8-6-17/h3-10,13,15,20,32H,11-12,14H2,1-2H3,(H,28,35)/t20-/m0/s1.
What are the key properties of (4S)-4-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
(4S)-4-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide has a molecular weight of 476.51 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 59377491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).