N-[(3-chlorophenyl)methyl]-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide

C27H28ClN5O — CID 46378425

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

N-[(3-chlorophenyl)methyl]-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide (PubChem CID 46378425) has the molecular formula C27H28ClN5O and a molecular weight of 474.01 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(3-chlorophenyl)methyl]-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
• PubChem CID: 46378425
• Molecular Formula: C27H28ClN5O
• Molecular Weight: 474.01 g/mol
• Exact Mass: 473.20
• IUPAC Name: N-[(3-chlorophenyl)methyl]-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
• SMILES: Cc1ccc(-c2cc3nc(C)cc(N4CCC(C(=O)NCc5cccc(Cl)c5)CC4)n3n2)cc1
• InChI: InChI=1S/C27H28ClN5O/c1-18-6-8-21(9-7-18)24-16-25-30-19(2)14-26(33(25)31-24)32-12-10-22(11-13-32)27(34)29-17-20-4-3-5-23(28)15-20/h3-9,14-16,22H,10-13,17H2,1-2H3,(H,29,34)
• InChIKey: YPHDBYLBSANXGT-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.01
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(3-chlorophenyl)methyl]-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide (CID 46378425) is N-[(3-chlorophenyl)methyl]-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide.

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

The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide is Cc1ccc(-c2cc3nc(C)cc(N4CCC(C(=O)NCc5cccc(Cl)c5)CC4)n3n2)cc1.

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

The InChIKey is YPHDBYLBSANXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN5O/c1-18-6-8-21(9-7-18)24-16-25-30-19(2)14-26(33(25)31-24)32-12-10-22(11-13-32)27(34)29-17-20-4-3-5-23(28)15-20/h3-9,14-16,22H,10-13,17H2,1-2H3,(H,29,34).

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

N-[(3-chlorophenyl)methyl]-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide has a molecular weight of 474.01 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-chlorophenyl)methyl]-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46378425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).