N-[3-(4-acetylpiperazin-1-yl)phenyl]-5-(5-chloro-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C33H34ClN9O2 — CID 162686012

IUPACN-[3-(4-acetylpiperazin-1-yl)phenyl]-5-(5-chloro-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(=O)N1CCN(c2cccc(NC(=O)c3nn4c(-c5cn[nH]c5)cc(N5Cc6ccc(Cl)cc6C5)nc4c3C(C)C)c2)CC1
InChIInChI=1S/C33H34ClN9O2/c1-20(2)30-31(33(45)37-26-5-4-6-27(14-26)41-11-9-40(10-12-41)21(3)44)39-43-28(24-16-35-36-17-24)15-29(38-32(30)43)42-18-22-7-8-25(34)13-23(22)19-42/h4-8,13-17,20H,9-12,18-19H2,1-3H3,(H,35,36)(H,37,45)
InChIKeyISCSMDWRHARFPN-UHFFFAOYSA-N
MW624.15 g/mol
LogP5.34
Rot. Bonds6

About N-[3-(4-acetylpiperazin-1-yl)phenyl]-5-(5-chloro-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[3-(4-acetylpiperazin-1-yl)phenyl]-5-(5-chloro-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 162686012) has the molecular formula C33H34ClN9O2 and a molecular weight of 624.15 g/mol. Its IUPAC name is N-[3-(4-acetylpiperazin-1-yl)phenyl]-5-(5-chloro-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-acetylpiperazin-1-yl)phenyl]-5-(5-chloro-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID162686012
Molecular FormulaC33H34ClN9O2
Molecular Weight624.15 g/mol
Exact Mass623.25
IUPAC NameN-[3-(4-acetylpiperazin-1-yl)phenyl]-5-(5-chloro-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(=O)N1CCN(c2cccc(NC(=O)c3nn4c(-c5cn[nH]c5)cc(N5Cc6ccc(Cl)cc6C5)nc4c3C(C)C)c2)CC1
InChIInChI=1S/C33H34ClN9O2/c1-20(2)30-31(33(45)37-26-5-4-6-27(14-26)41-11-9-40(10-12-41)21(3)44)39-43-28(24-16-35-36-17-24)15-29(38-32(30)43)42-18-22-7-8-25(34)13-23(22)19-42/h4-8,13-17,20H,9-12,18-19H2,1-3H3,(H,35,36)(H,37,45)
InChIKeyISCSMDWRHARFPN-UHFFFAOYSA-N
XLogP5.34
TPSA114.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.15
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-(4-acetylpiperazin-1-yl)phenyl]-5-(5-chloro-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide 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

5-(5-chloro-1,3-dihydroisoindol-2-yl)-N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 162686006
N-[3-(4-acetylpiperazin-1-yl)phenyl]-5-(1,3-dihydroisoindol-2-yl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 162686043
3-[3-(4-acetylpiperazin-1-yl)phenyl]-5-(1,3-dihydroisoindol-2-yl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 175938189
3-cyclopropyl-5-(1,3-dihydroisoindol-2-yl)-N-(3-methoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 162686149
5-(1,3-dihydroisoindol-2-yl)-3-(3,5-dimethoxyphenyl)-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 175938229
4-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-2-carboxamide
CID 109209220
6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109155130
N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]benzamide
CID 22032058
4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide
CID 33433718
N-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078232
1-[2-fluoro-5-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylpiperazin-1-yl)phenyl]urea
CID 66728991
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetylpiperazin-1-yl)phenyl]-5-(5-chloro-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-(4-acetylpiperazin-1-yl)phenyl]-5-(5-chloro-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 162686012) is N-[3-(4-acetylpiperazin-1-yl)phenyl]-5-(5-chloro-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-(4-acetylpiperazin-1-yl)phenyl]-5-(5-chloro-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-(4-acetylpiperazin-1-yl)phenyl]-5-(5-chloro-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CC(=O)N1CCN(c2cccc(NC(=O)c3nn4c(-c5cn[nH]c5)cc(N5Cc6ccc(Cl)cc6C5)nc4c3C(C)C)c2)CC1.
What is the InChIKey of N-[3-(4-acetylpiperazin-1-yl)phenyl]-5-(5-chloro-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ISCSMDWRHARFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34ClN9O2/c1-20(2)30-31(33(45)37-26-5-4-6-27(14-26)41-11-9-40(10-12-41)21(3)44)39-43-28(24-16-35-36-17-24)15-29(38-32(30)43)42-18-22-7-8-25(34)13-23(22)19-42/h4-8,13-17,20H,9-12,18-19H2,1-3H3,(H,35,36)(H,37,45).
What are the key properties of N-[3-(4-acetylpiperazin-1-yl)phenyl]-5-(5-chloro-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[3-(4-acetylpiperazin-1-yl)phenyl]-5-(5-chloro-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 624.15 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetylpiperazin-1-yl)phenyl]-5-(5-chloro-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 162686012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).