1-benzyl-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-methylphenyl)pyrazole-4-carboxamide

C27H24N6O3 — CID 134009055

IUPAC1-benzyl-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C27H24N6O3/c1-17-9-11-19(12-10-17)23-22(16-33(30-23)15-18-7-5-4-6-8-18)25(34)29-20-13-21-24(28-14-20)31(2)27(36)32(3)26(21)35/h4-14,16H,15H2,1-3H3,(H,29,34)
InChIKeyZWNGOTLFAZIKPX-UHFFFAOYSA-N
MW480.53 g/mol
LogP3.10
Rot. Bonds5

About 1-benzyl-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-methylphenyl)pyrazole-4-carboxamide

1-benzyl-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-methylphenyl)pyrazole-4-carboxamide (PubChem CID 134009055) has the molecular formula C27H24N6O3 and a molecular weight of 480.53 g/mol. Its IUPAC name is 1-benzyl-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-methylphenyl)pyrazole-4-carboxamide
PubChem CID134009055
Molecular FormulaC27H24N6O3
Molecular Weight480.53 g/mol
Exact Mass480.19
IUPAC Name1-benzyl-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C27H24N6O3/c1-17-9-11-19(12-10-17)23-22(16-33(30-23)15-18-7-5-4-6-8-18)25(34)29-20-13-21-24(28-14-20)31(2)27(36)32(3)26(21)35/h4-14,16H,15H2,1-3H3,(H,29,34)
InChIKeyZWNGOTLFAZIKPX-UHFFFAOYSA-N
XLogP3.10
TPSA103.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18204910
1-benzyl-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18268437
1-benzyl-N-(4-cyanophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18225401
1-benzyl-3-(4-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 60517142
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2,5-difluorobenzamide
CID 134009067
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55582809
2-chloro-5-(diethylsulfamoyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide
CID 55456859
6-(benzylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 154751912
1-benzyl-N'-(3-chlorophenyl)-3-(4-methylphenyl)pyrazole-4-carbohydrazide
CID 43021494
methyl 3-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]-4-methylbenzoate
CID 18288690
1-benzyl-N-[3-(methylcarbamoylamino)phenyl]-3-phenylpyrazole-4-carboxamide
CID 99181106
1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 78803173

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-methylphenyl)pyrazole-4-carboxamide (CID 134009055) is 1-benzyl-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-methylphenyl)pyrazole-4-carboxamide is Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1.
What is the InChIKey of 1-benzyl-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is ZWNGOTLFAZIKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O3/c1-17-9-11-19(12-10-17)23-22(16-33(30-23)15-18-7-5-4-6-8-18)25(34)29-20-13-21-24(28-14-20)31(2)27(36)32(3)26(21)35/h4-14,16H,15H2,1-3H3,(H,29,34).
What are the key properties of 1-benzyl-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-methylphenyl)pyrazole-4-carboxamide?
1-benzyl-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 480.53 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134009055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).