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

C25H28ClN7O4 — CID 154962479

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

N-[5-(5-chloro-2-methoxyphenyl)-2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 154962479) has the molecular formula C25H28ClN7O4 and a molecular weight of 526.00 g/mol. Its IUPAC name is N-[5-(5-chloro-2-methoxyphenyl)-2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-(5-chloro-2-methoxyphenyl)-2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 154962479
• Molecular Formula: C25H28ClN7O4
• Molecular Weight: 526.00 g/mol
• Exact Mass: 525.19
• IUPAC Name: N-[5-(5-chloro-2-methoxyphenyl)-2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: COc1ccc(Cl)cc1C1NN(CC(=O)N2CCCC(OC)C2)C=C1NC(=O)c1cnn2cccnc12
• InChI: InChI=1S/C25H28ClN7O4/c1-36-17-5-3-9-31(13-17)22(34)15-32-14-20(23(30-32)18-11-16(26)6-7-21(18)37-2)29-25(35)19-12-28-33-10-4-8-27-24(19)33/h4,6-8,10-12,14,17,23,30H,3,5,9,13,15H2,1-2H3,(H,29,35)
• InChIKey: ZFTNOTUYJLLEBD-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 113.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.00
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[5-(5-chloro-2-methoxyphenyl)-2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 154962479) is N-[5-(5-chloro-2-methoxyphenyl)-2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[5-(5-chloro-2-methoxyphenyl)-2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(Cl)cc1C1NN(CC(=O)N2CCCC(OC)C2)C=C1NC(=O)c1cnn2cccnc12.

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

The InChIKey is ZFTNOTUYJLLEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN7O4/c1-36-17-5-3-9-31(13-17)22(34)15-32-14-20(23(30-32)18-11-16(26)6-7-21(18)37-2)29-25(35)19-12-28-33-10-4-8-27-24(19)33/h4,6-8,10-12,14,17,23,30H,3,5,9,13,15H2,1-2H3,(H,29,35).

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

N-[5-(5-chloro-2-methoxyphenyl)-2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 526.00 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(5-chloro-2-methoxyphenyl)-2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 154962479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).