2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H25ClN8O3 — CID 70495976

About 2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 70495976) has the molecular formula C24H25ClN8O3 and a molecular weight of 508.97 g/mol. Its IUPAC name is 2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 70495976
• Molecular Formula: C24H25ClN8O3
• Molecular Weight: 508.97 g/mol
• Exact Mass: 508.17
• IUPAC Name: 2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: COc1ccc(Cl)cc1-c1nn(CC(=O)NC2CCCC2)cc1NC(=O)c1c(N)nn2cccnc12
• InChI: InChI=1S/C24H25ClN8O3/c1-36-18-8-7-14(25)11-16(18)21-17(12-32(30-21)13-19(34)28-15-5-2-3-6-15)29-24(35)20-22(26)31-33-10-4-9-27-23(20)33/h4,7-12,15H,2-3,5-6,13H2,1H3,(H2,26,31)(H,28,34)(H,29,35)
• InChIKey: QIZWMUKHJYGGSJ-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 141.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.97
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 70495976) is 2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(Cl)cc1-c1nn(CC(=O)NC2CCCC2)cc1NC(=O)c1c(N)nn2cccnc12.

What is the InChIKey of 2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is QIZWMUKHJYGGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN8O3/c1-36-18-8-7-14(25)11-16(18)21-17(12-32(30-21)13-19(34)28-15-5-2-3-6-15)29-24(35)20-22(26)31-33-10-4-9-27-23(20)33/h4,7-12,15H,2-3,5-6,13H2,1H3,(H2,26,31)(H,28,34)(H,29,35).

What are the key properties of 2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 508.97 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70495976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).