1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide

C29H33N5O — CID 92880391

About 1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide

1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide (PubChem CID 92880391) has the molecular formula C29H33N5O and a molecular weight of 467.62 g/mol. Its IUPAC name is 1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
• PubChem CID: 92880391
• Molecular Formula: C29H33N5O
• Molecular Weight: 467.62 g/mol
• Exact Mass: 467.27
• IUPAC Name: 1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
• SMILES: Cc1cc(N2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)n2nc(-c3ccccc3)cc2n1
• InChI: InChI=1S/C29H33N5O/c1-21(13-14-23-9-5-3-6-10-23)31-29(35)25-15-17-33(18-16-25)28-19-22(2)30-27-20-26(32-34(27)28)24-11-7-4-8-12-24/h3-12,19-21,25H,13-18H2,1-2H3,(H,31,35)/t21-/m0/s1
• InChIKey: DSNLIVKXZFXYIL-NRFANRHFSA-N
• XLogP: 5.06
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.62
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide?

The IUPAC name of 1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide (CID 92880391) is 1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide?

The canonical SMILES for 1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide is Cc1cc(N2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)n2nc(-c3ccccc3)cc2n1.

What is the InChIKey of 1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide?

The InChIKey is DSNLIVKXZFXYIL-NRFANRHFSA-N. The full InChI is InChI=1S/C29H33N5O/c1-21(13-14-23-9-5-3-6-10-23)31-29(35)25-15-17-33(18-16-25)28-19-22(2)30-27-20-26(32-34(27)28)24-11-7-4-8-12-24/h3-12,19-21,25H,13-18H2,1-2H3,(H,31,35)/t21-/m0/s1.

What are the key properties of 1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide?

1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide has a molecular weight of 467.62 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 92880391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).