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

C26H28N4O3 — CID 53049892

IUPACN-cyclopentyl-4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]benzamide
SMILESCOc1ccc(-c2cc3n(n2)CCC(=O)N3Cc2ccc(C(=O)NC3CCCC3)cc2)cc1
InChIInChI=1S/C26H28N4O3/c1-33-22-12-10-19(11-13-22)23-16-24-29(25(31)14-15-30(24)28-23)17-18-6-8-20(9-7-18)26(32)27-21-4-2-3-5-21/h6-13,16,21H,2-5,14-15,17H2,1H3,(H,27,32)
InChIKeyDOZIDEDSIOHETD-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.17
Rot. Bonds6

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

N-cyclopentyl-4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]benzamide (PubChem CID 53049892) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-cyclopentyl-4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]benzamide
PubChem CID53049892
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-cyclopentyl-4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]benzamide
SMILESCOc1ccc(-c2cc3n(n2)CCC(=O)N3Cc2ccc(C(=O)NC3CCCC3)cc2)cc1
InChIInChI=1S/C26H28N4O3/c1-33-22-12-10-19(11-13-22)23-16-24-29(25(31)14-15-30(24)28-23)17-18-6-8-20(9-7-18)26(32)27-21-4-2-3-5-21/h6-13,16,21H,2-5,14-15,17H2,1H3,(H,27,32)
InChIKeyDOZIDEDSIOHETD-UHFFFAOYSA-N
XLogP4.17
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]benzamide
CID 53003703
4-[[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-cyclohexylbenzamide
CID 53003716
2-(4-methoxyphenyl)-4-[[4-(piperidine-1-carbonyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 53049920
4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-(1-phenylethyl)benzamide
CID 53049907
4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-[(1R)-1-phenylethyl]benzamide
CID 95063423
4-[[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-propylbenzamide
CID 53049940
4-[[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-(3-methylbutyl)benzamide
CID 53049943
N-(3,4-dimethoxyphenyl)-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 46279477
N-cyclopropyl-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 20919984
N-[(4-methylphenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 20920139
4-[[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 53003719
N-[[(2R)-oxolan-2-yl]methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 92745318

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]benzamide?
The IUPAC name of N-cyclopentyl-4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]benzamide (CID 53049892) is N-cyclopentyl-4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]benzamide?
The canonical SMILES for N-cyclopentyl-4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]benzamide is COc1ccc(-c2cc3n(n2)CCC(=O)N3Cc2ccc(C(=O)NC3CCCC3)cc2)cc1.
What is the InChIKey of N-cyclopentyl-4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]benzamide?
The InChIKey is DOZIDEDSIOHETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-33-22-12-10-19(11-13-22)23-16-24-29(25(31)14-15-30(24)28-23)17-18-6-8-20(9-7-18)26(32)27-21-4-2-3-5-21/h6-13,16,21H,2-5,14-15,17H2,1H3,(H,27,32).
What are the key properties of N-cyclopentyl-4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]benzamide?
N-cyclopentyl-4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]benzamide has a molecular weight of 444.54 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]benzamide is sourced from PubChem (CID 53049892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).