2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(cyclopropylmethyl)-N-[(7-oxo-1,6-dihydropyrazolo[4,5-d]pyrimidin-5-yl)methyl]acetamide

C23H26ClN7O3 — CID 141493064

IUPAC2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(cyclopropylmethyl)-N-[(7-oxo-1,6-dihydropyrazolo[4,5-d]pyrimidin-5-yl)methyl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccc(Cl)cc2)CC1)N(Cc1nc2cn[nH]c2c(=O)[nH]1)CC1CC1
InChIInChI=1S/C23H26ClN7O3/c24-17-5-3-16(4-6-17)23(34)30-9-7-29(8-10-30)14-20(32)31(12-15-1-2-15)13-19-26-18-11-25-28-21(18)22(33)27-19/h3-6,11,15H,1-2,7-10,12-14H2,(H,25,28)(H,26,27,33)
InChIKeyNFHUUKCMXHWKMI-UHFFFAOYSA-N
MW483.96 g/mol
LogP1.50
Rot. Bonds7

About 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(cyclopropylmethyl)-N-[(7-oxo-1,6-dihydropyrazolo[4,5-d]pyrimidin-5-yl)methyl]acetamide

2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(cyclopropylmethyl)-N-[(7-oxo-1,6-dihydropyrazolo[4,5-d]pyrimidin-5-yl)methyl]acetamide (PubChem CID 141493064) has the molecular formula C23H26ClN7O3 and a molecular weight of 483.96 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(cyclopropylmethyl)-N-[(7-oxo-1,6-dihydropyrazolo[4,5-d]pyrimidin-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(cyclopropylmethyl)-N-[(7-oxo-1,6-dihydropyrazolo[4,5-d]pyrimidin-5-yl)methyl]acetamide
PubChem CID141493064
Molecular FormulaC23H26ClN7O3
Molecular Weight483.96 g/mol
Exact Mass483.18
IUPAC Name2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(cyclopropylmethyl)-N-[(7-oxo-1,6-dihydropyrazolo[4,5-d]pyrimidin-5-yl)methyl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccc(Cl)cc2)CC1)N(Cc1nc2cn[nH]c2c(=O)[nH]1)CC1CC1
InChIInChI=1S/C23H26ClN7O3/c24-17-5-3-16(4-6-17)23(34)30-9-7-29(8-10-30)14-20(32)31(12-15-1-2-15)13-19-26-18-11-25-28-21(18)22(33)27-19/h3-6,11,15H,1-2,7-10,12-14H2,(H,25,28)(H,26,27,33)
InChIKeyNFHUUKCMXHWKMI-UHFFFAOYSA-N
XLogP1.50
TPSA118.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.96
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(cyclopropylmethyl)-N-[(7-oxo-1,6-dihydropyrazolo[4,5-d]pyrimidin-5-yl)methyl]acetamide 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

4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide
CID 11338033
Pyrazole diamide, 32
CID 24971323
N-[(4-chlorophenyl)-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]methyl]-2-(dimethylamino)acetamide
CID 136218662
N-[5-butyl-3-(4-chlorophenyl)-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-6-yl]benzamide
CID 46864990
3-amino-N-[(4-chlorophenyl)-[4-oxo-6-(1H-pyrazol-4-yl)-3H-quinazolin-2-yl]methyl]propanamide
CID 135894303
ZK 304709
CID 59733314
3-(4-Chlorophenyl)-5-methyl-1,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 137226430
N-[3-(4-chlorophenyl)-7-oxo-5-pentyl-1H-pyrazolo[4,3-d]pyrimidin-6-yl]benzamide
CID 46864991
N-[3-(4-chlorophenyl)-7-oxo-5-propyl-1H-pyrazolo[4,3-d]pyrimidin-6-yl]benzamide
CID 46880755
N-[3-(4-chlorophenyl)-5-(2-cyclopentylethyl)-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-6-yl]benzamide
CID 46880795
N-[3-(4-chlorophenyl)-5-(cyclohexylmethyl)-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-6-yl]-2-phenylacetamide
CID 46880830
3-[5-(4-chlorophenyl)-3-(piperidine-1-carbonyl)pyrazol-1-yl]-1H-pyridazin-6-one
CID 71697976

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(cyclopropylmethyl)-N-[(7-oxo-1,6-dihydropyrazolo[4,5-d]pyrimidin-5-yl)methyl]acetamide?
The IUPAC name of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(cyclopropylmethyl)-N-[(7-oxo-1,6-dihydropyrazolo[4,5-d]pyrimidin-5-yl)methyl]acetamide (CID 141493064) is 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(cyclopropylmethyl)-N-[(7-oxo-1,6-dihydropyrazolo[4,5-d]pyrimidin-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(cyclopropylmethyl)-N-[(7-oxo-1,6-dihydropyrazolo[4,5-d]pyrimidin-5-yl)methyl]acetamide?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(cyclopropylmethyl)-N-[(7-oxo-1,6-dihydropyrazolo[4,5-d]pyrimidin-5-yl)methyl]acetamide is O=C(CN1CCN(C(=O)c2ccc(Cl)cc2)CC1)N(Cc1nc2cn[nH]c2c(=O)[nH]1)CC1CC1.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(cyclopropylmethyl)-N-[(7-oxo-1,6-dihydropyrazolo[4,5-d]pyrimidin-5-yl)methyl]acetamide?
The InChIKey is NFHUUKCMXHWKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN7O3/c24-17-5-3-16(4-6-17)23(34)30-9-7-29(8-10-30)14-20(32)31(12-15-1-2-15)13-19-26-18-11-25-28-21(18)22(33)27-19/h3-6,11,15H,1-2,7-10,12-14H2,(H,25,28)(H,26,27,33).
What are the key properties of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(cyclopropylmethyl)-N-[(7-oxo-1,6-dihydropyrazolo[4,5-d]pyrimidin-5-yl)methyl]acetamide?
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(cyclopropylmethyl)-N-[(7-oxo-1,6-dihydropyrazolo[4,5-d]pyrimidin-5-yl)methyl]acetamide has a molecular weight of 483.96 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(cyclopropylmethyl)-N-[(7-oxo-1,6-dihydropyrazolo[4,5-d]pyrimidin-5-yl)methyl]acetamide is sourced from PubChem (CID 141493064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).