3-(4-chlorophenyl)-N-[2-[4-(methylamino)piperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

C25H25ClN6O — CID 58628283

About 3-(4-chlorophenyl)-N-[2-[4-(methylamino)piperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

3-(4-chlorophenyl)-N-[2-[4-(methylamino)piperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 58628283) has the molecular formula C25H25ClN6O and a molecular weight of 460.97 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-[4-(methylamino)piperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-N-[2-[4-(methylamino)piperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 58628283
• Molecular Formula: C25H25ClN6O
• Molecular Weight: 460.97 g/mol
• Exact Mass: 460.18
• IUPAC Name: 3-(4-chlorophenyl)-N-[2-[4-(methylamino)piperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CNC1CCN(c2ccccc2NC(=O)c2cnc3c(-c4ccc(Cl)cc4)cnn3c2)CC1
• InChI: InChI=1S/C25H25ClN6O/c1-27-20-10-12-31(13-11-20)23-5-3-2-4-22(23)30-25(33)18-14-28-24-21(15-29-32(24)16-18)17-6-8-19(26)9-7-17/h2-9,14-16,20,27H,10-13H2,1H3,(H,30,33)
• InChIKey: WLNYHHCGJDBTND-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 74.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.97
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-[4-(methylamino)piperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of 3-(4-chlorophenyl)-N-[2-[4-(methylamino)piperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 58628283) is 3-(4-chlorophenyl)-N-[2-[4-(methylamino)piperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-[4-(methylamino)piperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for 3-(4-chlorophenyl)-N-[2-[4-(methylamino)piperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is CNC1CCN(c2ccccc2NC(=O)c2cnc3c(-c4ccc(Cl)cc4)cnn3c2)CC1.

What is the InChIKey of 3-(4-chlorophenyl)-N-[2-[4-(methylamino)piperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is WLNYHHCGJDBTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O/c1-27-20-10-12-31(13-11-20)23-5-3-2-4-22(23)30-25(33)18-14-28-24-21(15-29-32(24)16-18)17-6-8-19(26)9-7-17/h2-9,14-16,20,27H,10-13H2,1H3,(H,30,33).

What are the key properties of 3-(4-chlorophenyl)-N-[2-[4-(methylamino)piperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?

3-(4-chlorophenyl)-N-[2-[4-(methylamino)piperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 460.97 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-N-[2-[4-(methylamino)piperidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 58628283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).