N-(3,4-dimethoxyphenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide

C23H24N4O4 — CID 46279451

IUPACN-(3,4-dimethoxyphenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(CN3C(=O)CCn4nc(C)cc43)cc2)cc1OC
InChIInChI=1S/C23H24N4O4/c1-15-12-21-26(22(28)10-11-27(21)25-15)14-16-4-6-17(7-5-16)23(29)24-18-8-9-19(30-2)20(13-18)31-3/h4-9,12-13H,10-11,14H2,1-3H3,(H,24,29)
InChIKeyHCKMKQFGTNTODX-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.40
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide

N-(3,4-dimethoxyphenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide (PubChem CID 46279451) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
PubChem CID46279451
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-(3,4-dimethoxyphenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(CN3C(=O)CCn4nc(C)cc43)cc2)cc1OC
InChIInChI=1S/C23H24N4O4/c1-15-12-21-26(22(28)10-11-27(21)25-15)14-16-4-6-17(7-5-16)23(29)24-18-8-9-19(30-2)20(13-18)31-3/h4-9,12-13H,10-11,14H2,1-3H3,(H,24,29)
InChIKeyHCKMKQFGTNTODX-UHFFFAOYSA-N
XLogP3.40
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 46279477
N-(3,4-dimethoxyphenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 17430256
N-(3-chloro-4-methoxyphenyl)-4-[(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 46341582
N-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1099911
4-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 20920120
N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 20920097
4-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 20920119
N-(3,4-dimethoxyphenyl)-4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide
CID 91908465
N-(3,4-dimethoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1363715
4-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 20920100
N-cyclopentyl-4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]benzamide
CID 53049892
4-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 20920117

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide (CID 46279451) is N-(3,4-dimethoxyphenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide is COc1ccc(NC(=O)c2ccc(CN3C(=O)CCn4nc(C)cc43)cc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide?
The InChIKey is HCKMKQFGTNTODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-15-12-21-26(22(28)10-11-27(21)25-15)14-16-4-6-17(7-5-16)23(29)24-18-8-9-19(30-2)20(13-18)31-3/h4-9,12-13H,10-11,14H2,1-3H3,(H,24,29).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide?
N-(3,4-dimethoxyphenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide has a molecular weight of 420.47 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-[(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 46279451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).