1-[[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]piperidine-4-carboxamide

C₂₆H₃₃ClN₆O — CID 166871408

About 1-[[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]piperidine-4-carboxamide

1-[[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]piperidine-4-carboxamide (PubChem CID 166871408) has the molecular formula C₂₆H₃₃ClN₆O and a molecular weight of 481.04 g/mol. Its IUPAC name is 1-[[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]piperidine-4-carboxamide
• PubChem CID: 166871408
• Molecular Formula: C₂₆H₃₃ClN₆O
• Molecular Weight: 481.04 g/mol
• Exact Mass: 480.24
• IUPAC Name: 1-[[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]piperidine-4-carboxamide
• SMILES: Cc1nn2c(C3CCCN(Cc4ccc(Cl)cc4)C3)ccnc2c1CN1CCC(C(N)=O)CC1
• InChI: InChI=1S/C26H33ClN6O/c1-18-23(17-31-13-9-20(10-14-31)25(28)34)26-29-11-8-24(33(26)30-18)21-3-2-12-32(16-21)15-19-4-6-22(27)7-5-19/h4-8,11,20-21H,2-3,9-10,12-17H2,1H3,(H2,28,34)
• InChIKey: OIWBYMYWRPAOFL-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 79.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.04
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]piperidine-4-carboxamide?

The IUPAC name of 1-[[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]piperidine-4-carboxamide (CID 166871408) is 1-[[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]piperidine-4-carboxamide is Cc1nn2c(C3CCCN(Cc4ccc(Cl)cc4)C3)ccnc2c1CN1CCC(C(N)=O)CC1.

What is the InChIKey of 1-[[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]piperidine-4-carboxamide?

The InChIKey is OIWBYMYWRPAOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN6O/c1-18-23(17-31-13-9-20(10-14-31)25(28)34)26-29-11-8-24(33(26)30-18)21-3-2-12-32(16-21)15-19-4-6-22(27)7-5-19/h4-8,11,20-21H,2-3,9-10,12-17H2,1H3,(H2,28,34).

What are the key properties of 1-[[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]piperidine-4-carboxamide?

1-[[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]piperidine-4-carboxamide has a molecular weight of 481.04 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 166871408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 166871408 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.