[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone

C26H26Cl2N4O — CID 135843692

IUPAC[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
SMILESCC1=C(C(=O)N2CCCC2CCc2ccccc2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
InChIInChI=1S/C26H26Cl2N4O/c1-17-24(26(33)31-15-5-8-20(31)11-9-18-6-3-2-4-7-18)25(32-23(30-17)13-14-29-32)19-10-12-21(27)22(28)16-19/h2-4,6-7,10,12-14,16,20,25,30H,5,8-9,11,15H2,1H3
InChIKeyDTXAWKOHJACZAA-UHFFFAOYSA-N
MW481.43 g/mol
LogP6.10
Rot. Bonds5

About [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone

[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone (PubChem CID 135843692) has the molecular formula C26H26Cl2N4O and a molecular weight of 481.43 g/mol. Its IUPAC name is [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
PubChem CID135843692
Molecular FormulaC26H26Cl2N4O
Molecular Weight481.43 g/mol
Exact Mass480.15
IUPAC Name[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
SMILESCC1=C(C(=O)N2CCCC2CCc2ccccc2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
InChIInChI=1S/C26H26Cl2N4O/c1-17-24(26(33)31-15-5-8-20(31)11-9-18-6-3-2-4-7-18)25(32-23(30-17)13-14-29-32)19-10-12-21(27)22(28)16-19/h2-4,6-7,10,12-14,16,20,25,30H,5,8-9,11,15H2,1H3
InChIKeyDTXAWKOHJACZAA-UHFFFAOYSA-N
XLogP6.10
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.43
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bms-394136
CID 135446049
5-benzyl-6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
CID 156013087
7-(3,4-dichlorophenyl)-5-methyl-N-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135433132
CID 135443450
CID 135443450
[7-(3-Chlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135450037
[7-(3,4-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone
CID 135450069
[7-(3,4-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135450097
[7-(2,4-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135450098
[7-(3,5-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135450099
9-(3,4-Dichlorophenyl)-5,6,7,9-tetrahydropyrazolo[5.1-b]quinazolin-8(4H)-one
CID 135494158
[7-(3,4-Dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135528474
[7-(3,4-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 135532460

Frequently Asked Questions

What is the IUPAC name of [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone (CID 135843692) is [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone is CC1=C(C(=O)N2CCCC2CCc2ccccc2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1.
What is the InChIKey of [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The InChIKey is DTXAWKOHJACZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N4O/c1-17-24(26(33)31-15-5-8-20(31)11-9-18-6-3-2-4-7-18)25(32-23(30-17)13-14-29-32)19-10-12-21(27)22(28)16-19/h2-4,6-7,10,12-14,16,20,25,30H,5,8-9,11,15H2,1H3.
What are the key properties of [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone?
[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone has a molecular weight of 481.43 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 135843692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).