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

C25H24FN5O4 — CID 70794831

IUPAC(6S)-6-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
SMILESCc1ccc(-c2ccc(=O)n(CCO)n2)cc1NC(=O)C1=CN(C)C(=O)N[C@H]1c1ccc(F)cc1
InChIInChI=1S/C25H24FN5O4/c1-15-3-4-17(20-9-10-22(33)31(29-20)11-12-32)13-21(15)27-24(34)19-14-30(2)25(35)28-23(19)16-5-7-18(26)8-6-16/h3-10,13-14,23,32H,11-12H2,1-2H3,(H,27,34)(H,28,35)/t23-/m0/s1
InChIKeyKTZITPDFSHGYKH-QHCPKHFHSA-N
MW477.50 g/mol
LogP2.57
Rot. Bonds6

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

(6S)-6-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide (PubChem CID 70794831) has the molecular formula C25H24FN5O4 and a molecular weight of 477.50 g/mol. Its IUPAC name is (6S)-6-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name(6S)-6-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
PubChem CID70794831
Molecular FormulaC25H24FN5O4
Molecular Weight477.50 g/mol
Exact Mass477.18
IUPAC Name(6S)-6-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
SMILESCc1ccc(-c2ccc(=O)n(CCO)n2)cc1NC(=O)C1=CN(C)C(=O)N[C@H]1c1ccc(F)cc1
InChIInChI=1S/C25H24FN5O4/c1-15-3-4-17(20-9-10-22(33)31(29-20)11-12-32)13-21(15)27-24(34)19-14-30(2)25(35)28-23(19)16-5-7-18(26)8-6-16/h3-10,13-14,23,32H,11-12H2,1-2H3,(H,27,34)(H,28,35)/t23-/m0/s1
InChIKeyKTZITPDFSHGYKH-QHCPKHFHSA-N
XLogP2.57
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

(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
(6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 70794830
(6S)-5-[2-[5-[1-[(2R)-2,3-dihydroxypropyl]-5-methylpyrazol-3-yl]-2-methylphenyl]acetyl]-6-(4-fluorophenyl)-3-methyl-1,6-dihydropyrimidin-2-one
CID 58128698
6-[3-[2-[(6S)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidin-5-yl]-2-oxoethyl]-4-methylphenyl]-2-methylpyridazin-3-one
CID 58128635
(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
(6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(3-methyl-2,4-dioxopyrimidin-1-yl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 70794776
(6S)-6-(4-fluorophenyl)-5-[2-[5-[1-[(2R)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-3-yl]-2-methylphenyl]acetyl]-3-methyl-1,6-dihydropyrimidin-2-one
CID 58128637
(6S)-6-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-3-methyl-N-[2-methyl-5-(1-methyl-6-oxopyridazin-3-yl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 163776854
N-[5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide
CID 27518001
N-[5-(1,5-dimethylpyrazol-3-yl)-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 75215388
(4S)-4-(4-fluorophenyl)-N-[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-3-yl]-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 67277239
N-(2,6-dimethylquinolin-5-yl)-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 75578020

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The IUPAC name of (6S)-6-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide (CID 70794831) is (6S)-6-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for (6S)-6-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The canonical SMILES for (6S)-6-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide is Cc1ccc(-c2ccc(=O)n(CCO)n2)cc1NC(=O)C1=CN(C)C(=O)N[C@H]1c1ccc(F)cc1.
What is the InChIKey of (6S)-6-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The InChIKey is KTZITPDFSHGYKH-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H24FN5O4/c1-15-3-4-17(20-9-10-22(33)31(29-20)11-12-32)13-21(15)27-24(34)19-14-30(2)25(35)28-23(19)16-5-7-18(26)8-6-16/h3-10,13-14,23,32H,11-12H2,1-2H3,(H,27,34)(H,28,35)/t23-/m0/s1.
What are the key properties of (6S)-6-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
(6S)-6-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide has a molecular weight of 477.50 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 70794831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).