N-(4-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H28ClN7O2 — CID 110089476

IUPACN-(4-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN1CC(c2cc(N3CCN(C)CC3)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3n2)CC1=O
InChIInChI=1S/C24H28ClN7O2/c1-3-30-15-16(12-22(30)33)20-13-21(31-10-8-29(2)9-11-31)32-23(28-20)19(14-26-32)24(34)27-18-6-4-17(25)5-7-18/h4-7,13-14,16H,3,8-12,15H2,1-2H3,(H,27,34)
InChIKeyCKXCYSUCIJOBSQ-UHFFFAOYSA-N
MW481.99 g/mol
LogP2.72
Rot. Bonds5

About N-(4-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(4-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 110089476) has the molecular formula C24H28ClN7O2 and a molecular weight of 481.99 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID110089476
Molecular FormulaC24H28ClN7O2
Molecular Weight481.99 g/mol
Exact Mass481.20
IUPAC NameN-(4-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN1CC(c2cc(N3CCN(C)CC3)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3n2)CC1=O
InChIInChI=1S/C24H28ClN7O2/c1-3-30-15-16(12-22(30)33)20-13-21(31-10-8-29(2)9-11-31)32-23(28-20)19(14-26-32)24(34)27-18-6-4-17(25)5-7-18/h4-7,13-14,16H,3,8-12,15H2,1-2H3,(H,27,34)
InChIKeyCKXCYSUCIJOBSQ-UHFFFAOYSA-N
XLogP2.72
TPSA86.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.99
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 110089476) is N-(4-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN1CC(c2cc(N3CCN(C)CC3)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3n2)CC1=O.
What is the InChIKey of N-(4-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CKXCYSUCIJOBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN7O2/c1-3-30-15-16(12-22(30)33)20-13-21(31-10-8-29(2)9-11-31)32-23(28-20)19(14-26-32)24(34)27-18-6-4-17(25)5-7-18/h4-7,13-14,16H,3,8-12,15H2,1-2H3,(H,27,34).
What are the key properties of N-(4-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 481.99 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110089476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).