N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C24H24N6O3 — CID 37330796

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
InChIInChI=1S/C24H24N6O3/c1-14-20(15(2)29(28-14)13-16-6-4-3-5-7-16)12-26-22(31)17-10-19-21(25-11-17)30(18-8-9-18)24(33)27-23(19)32/h3-7,10-11,18H,8-9,12-13H2,1-2H3,(H,26,31)(H,27,32,33)
InChIKeyLFCRXGHLJOQAMW-UHFFFAOYSA-N
MW444.50 g/mol
LogP2.21
Rot. Bonds6

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 37330796) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID37330796
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
InChIInChI=1S/C24H24N6O3/c1-14-20(15(2)29(28-14)13-16-6-4-3-5-7-16)12-26-22(31)17-10-19-21(25-11-17)30(18-8-9-18)24(33)27-23(19)32/h3-7,10-11,18H,8-9,12-13H2,1-2H3,(H,26,31)(H,27,32,33)
InChIKeyLFCRXGHLJOQAMW-UHFFFAOYSA-N
XLogP2.21
TPSA114.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

1-cyclopropyl-N-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36863765
N-[3-[benzyl(methyl)amino]propyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 37314856
1-cyclopropyl-N-[[3-(methanesulfonamido)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 43065423
N-[(4-benzylmorpholin-2-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 43064063
1-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 37155718
1-cyclopropyl-N-[2-(methylcarbamoyl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 55550563
1-cyclopropyl-N-(3-ethylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36805442
1-cyclopropyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 60553544
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-bromopyridine-3-carboxamide
CID 8943431
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-chloropyridine-4-carboxamide
CID 34306724
1-cyclopropyl-N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36768989
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-tert-butylbenzamide
CID 8943315

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 37330796) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is LFCRXGHLJOQAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-14-20(15(2)29(28-14)13-16-6-4-3-5-7-16)12-26-22(31)17-10-19-21(25-11-17)30(18-8-9-18)24(33)27-23(19)32/h3-7,10-11,18H,8-9,12-13H2,1-2H3,(H,26,31)(H,27,32,33).
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 37330796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).