(4S)-N-[2-chloro-5-[1-(2-hydroxyethyl)-5-methylpyrazol-3-yl]phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide

C25H24ClFN4O3 — CID 59377506

IUPAC(4S)-N-[2-chloro-5-[1-(2-hydroxyethyl)-5-methylpyrazol-3-yl]phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCc1cc(-c2ccc(Cl)c(NC(=O)C3=CN(C)C(=O)C[C@H]3c3ccc(F)cc3)c2)nn1CCO
InChIInChI=1S/C25H24ClFN4O3/c1-15-11-22(29-31(15)9-10-32)17-5-8-21(26)23(12-17)28-25(34)20-14-30(2)24(33)13-19(20)16-3-6-18(27)7-4-16/h3-8,11-12,14,19,32H,9-10,13H2,1-2H3,(H,28,34)/t19-/m0/s1
InChIKeyLFDDSYDKDZJBGZ-IBGZPJMESA-N
MW482.94 g/mol
LogP4.11
Rot. Bonds6

About (4S)-N-[2-chloro-5-[1-(2-hydroxyethyl)-5-methylpyrazol-3-yl]phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide

(4S)-N-[2-chloro-5-[1-(2-hydroxyethyl)-5-methylpyrazol-3-yl]phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide (PubChem CID 59377506) has the molecular formula C25H24ClFN4O3 and a molecular weight of 482.94 g/mol. Its IUPAC name is (4S)-N-[2-chloro-5-[1-(2-hydroxyethyl)-5-methylpyrazol-3-yl]phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name(4S)-N-[2-chloro-5-[1-(2-hydroxyethyl)-5-methylpyrazol-3-yl]phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
PubChem CID59377506
Molecular FormulaC25H24ClFN4O3
Molecular Weight482.94 g/mol
Exact Mass482.15
IUPAC Name(4S)-N-[2-chloro-5-[1-(2-hydroxyethyl)-5-methylpyrazol-3-yl]phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCc1cc(-c2ccc(Cl)c(NC(=O)C3=CN(C)C(=O)C[C@H]3c3ccc(F)cc3)c2)nn1CCO
InChIInChI=1S/C25H24ClFN4O3/c1-15-11-22(29-31(15)9-10-32)17-5-8-21(26)23(12-17)28-25(34)20-14-30(2)24(33)13-19(20)16-3-6-18(27)7-4-16/h3-8,11-12,14,19,32H,9-10,13H2,1-2H3,(H,28,34)/t19-/m0/s1
InChIKeyLFDDSYDKDZJBGZ-IBGZPJMESA-N
XLogP4.11
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.94
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4S)-N-[2-chloro-5-[1-(2-hydroxyethyl)-5-methylpyrazol-3-yl]phenyl]-4-(4-fluorophenyl)-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)-N-[2-chloro-5-[1-(2-hydroxyethyl)-5-methylpyrazol-3-yl]phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The IUPAC name of (4S)-N-[2-chloro-5-[1-(2-hydroxyethyl)-5-methylpyrazol-3-yl]phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide (CID 59377506) is (4S)-N-[2-chloro-5-[1-(2-hydroxyethyl)-5-methylpyrazol-3-yl]phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide.
What is the SMILES notation for (4S)-N-[2-chloro-5-[1-(2-hydroxyethyl)-5-methylpyrazol-3-yl]phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The canonical SMILES for (4S)-N-[2-chloro-5-[1-(2-hydroxyethyl)-5-methylpyrazol-3-yl]phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide is Cc1cc(-c2ccc(Cl)c(NC(=O)C3=CN(C)C(=O)C[C@H]3c3ccc(F)cc3)c2)nn1CCO.
What is the InChIKey of (4S)-N-[2-chloro-5-[1-(2-hydroxyethyl)-5-methylpyrazol-3-yl]phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The InChIKey is LFDDSYDKDZJBGZ-IBGZPJMESA-N. The full InChI is InChI=1S/C25H24ClFN4O3/c1-15-11-22(29-31(15)9-10-32)17-5-8-21(26)23(12-17)28-25(34)20-14-30(2)24(33)13-19(20)16-3-6-18(27)7-4-16/h3-8,11-12,14,19,32H,9-10,13H2,1-2H3,(H,28,34)/t19-/m0/s1.
What are the key properties of (4S)-N-[2-chloro-5-[1-(2-hydroxyethyl)-5-methylpyrazol-3-yl]phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
(4S)-N-[2-chloro-5-[1-(2-hydroxyethyl)-5-methylpyrazol-3-yl]phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide has a molecular weight of 482.94 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[2-chloro-5-[1-(2-hydroxyethyl)-5-methylpyrazol-3-yl]phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 59377506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).