N-(4-methoxyphenyl)-6-methyl-2-oxo-4-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide

C28H27N5O3 — CID 4836649

IUPACN-(4-methoxyphenyl)-6-methyl-2-oxo-4-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)C2=C(C)NC(=O)NC2c2ccc(N3CCC(c4ccccc4)=N3)cc2)cc1
InChIInChI=1S/C28H27N5O3/c1-18-25(27(34)30-21-10-14-23(36-2)15-11-21)26(31-28(35)29-18)20-8-12-22(13-9-20)33-17-16-24(32-33)19-6-4-3-5-7-19/h3-15,26H,16-17H2,1-2H3,(H,30,34)(H2,29,31,35)
InChIKeyLEUCWLSSMWIGAF-UHFFFAOYSA-N
MW481.56 g/mol
LogP4.58
Rot. Bonds6

About N-(4-methoxyphenyl)-6-methyl-2-oxo-4-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide

N-(4-methoxyphenyl)-6-methyl-2-oxo-4-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 4836649) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-methyl-2-oxo-4-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-methyl-2-oxo-4-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID4836649
Molecular FormulaC28H27N5O3
Molecular Weight481.56 g/mol
Exact Mass481.21
IUPAC NameN-(4-methoxyphenyl)-6-methyl-2-oxo-4-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)C2=C(C)NC(=O)NC2c2ccc(N3CCC(c4ccccc4)=N3)cc2)cc1
InChIInChI=1S/C28H27N5O3/c1-18-25(27(34)30-21-10-14-23(36-2)15-11-21)26(31-28(35)29-18)20-8-12-22(13-9-20)33-17-16-24(32-33)19-6-4-3-5-7-19/h3-15,26H,16-17H2,1-2H3,(H,30,34)(H2,29,31,35)
InChIKeyLEUCWLSSMWIGAF-UHFFFAOYSA-N
XLogP4.58
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(4-nitrophenyl)-2-oxo-4-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3941763
N-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2866647
(4R)-4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7720759
(4R)-4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1111565
4-(4-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2849941
4-[4-(2-amino-2-oxoethoxy)phenyl]-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3157838
4-(4-methoxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carbothioamide
CID 82018033
(4S)-4-(3-bromophenyl)-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1111544
N-(4-chlorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2860777
(4S)-4-(4-butoxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7858309
(4S)-N-(4-methoxyphenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 695933
(4S)-N,4-bis(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 962637

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-methyl-2-oxo-4-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-6-methyl-2-oxo-4-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 4836649) is N-(4-methoxyphenyl)-6-methyl-2-oxo-4-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-6-methyl-2-oxo-4-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-6-methyl-2-oxo-4-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide is COc1ccc(NC(=O)C2=C(C)NC(=O)NC2c2ccc(N3CCC(c4ccccc4)=N3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-methyl-2-oxo-4-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is LEUCWLSSMWIGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3/c1-18-25(27(34)30-21-10-14-23(36-2)15-11-21)26(31-28(35)29-18)20-8-12-22(13-9-20)33-17-16-24(32-33)19-6-4-3-5-7-19/h3-15,26H,16-17H2,1-2H3,(H,30,34)(H2,29,31,35).
What are the key properties of N-(4-methoxyphenyl)-6-methyl-2-oxo-4-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide?
N-(4-methoxyphenyl)-6-methyl-2-oxo-4-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 4.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-methyl-2-oxo-4-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 4836649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).