N-[6-oxo-5-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-pyridin-3-yl]-1-[(1R)-1-phenylethyl]pyrazole-4-carboxamide

C31H32N6O2 — CID 66852997

About N-[6-oxo-5-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-pyridin-3-yl]-1-[(1R)-1-phenylethyl]pyrazole-4-carboxamide

N-[6-oxo-5-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-pyridin-3-yl]-1-[(1R)-1-phenylethyl]pyrazole-4-carboxamide (PubChem CID 66852997) has the molecular formula C31H32N6O2 and a molecular weight of 520.64 g/mol. Its IUPAC name is N-[6-oxo-5-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-pyridin-3-yl]-1-[(1R)-1-phenylethyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[6-oxo-5-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-pyridin-3-yl]-1-[(1R)-1-phenylethyl]pyrazole-4-carboxamide
• PubChem CID: 66852997
• Molecular Formula: C31H32N6O2
• Molecular Weight: 520.64 g/mol
• Exact Mass: 520.26
• IUPAC Name: N-[6-oxo-5-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-pyridin-3-yl]-1-[(1R)-1-phenylethyl]pyrazole-4-carboxamide
• SMILES: C[C@H](c1ccccc1)n1cc(C(=O)Nc2c[nH]c(=O)c(-c3cc4cc(CN5CCCCC5)ccc4[nH]3)c2)cn1
• InChI: InChI=1S/C31H32N6O2/c1-21(23-8-4-2-5-9-23)37-20-25(17-33-37)30(38)34-26-16-27(31(39)32-18-26)29-15-24-14-22(10-11-28(24)35-29)19-36-12-6-3-7-13-36/h2,4-5,8-11,14-18,20-21,35H,3,6-7,12-13,19H2,1H3,(H,32,39)(H,34,38)/t21-/m1/s1
• InChIKey: KQFWQUIQPULKBU-OAQYLSRUSA-N
• XLogP: 5.57
• TPSA: 98.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.64
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[6-oxo-5-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-pyridin-3-yl]-1-[(1R)-1-phenylethyl]pyrazole-4-carboxamide?

The IUPAC name of N-[6-oxo-5-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-pyridin-3-yl]-1-[(1R)-1-phenylethyl]pyrazole-4-carboxamide (CID 66852997) is N-[6-oxo-5-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-pyridin-3-yl]-1-[(1R)-1-phenylethyl]pyrazole-4-carboxamide.

What is the SMILES notation for N-[6-oxo-5-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-pyridin-3-yl]-1-[(1R)-1-phenylethyl]pyrazole-4-carboxamide?

The canonical SMILES for N-[6-oxo-5-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-pyridin-3-yl]-1-[(1R)-1-phenylethyl]pyrazole-4-carboxamide is C[C@H](c1ccccc1)n1cc(C(=O)Nc2c[nH]c(=O)c(-c3cc4cc(CN5CCCCC5)ccc4[nH]3)c2)cn1.

What is the InChIKey of N-[6-oxo-5-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-pyridin-3-yl]-1-[(1R)-1-phenylethyl]pyrazole-4-carboxamide?

The InChIKey is KQFWQUIQPULKBU-OAQYLSRUSA-N. The full InChI is InChI=1S/C31H32N6O2/c1-21(23-8-4-2-5-9-23)37-20-25(17-33-37)30(38)34-26-16-27(31(39)32-18-26)29-15-24-14-22(10-11-28(24)35-29)19-36-12-6-3-7-13-36/h2,4-5,8-11,14-18,20-21,35H,3,6-7,12-13,19H2,1H3,(H,32,39)(H,34,38)/t21-/m1/s1.

What are the key properties of N-[6-oxo-5-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-pyridin-3-yl]-1-[(1R)-1-phenylethyl]pyrazole-4-carboxamide?

N-[6-oxo-5-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-pyridin-3-yl]-1-[(1R)-1-phenylethyl]pyrazole-4-carboxamide has a molecular weight of 520.64 g/mol, XLogP of 5.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-oxo-5-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-pyridin-3-yl]-1-[(1R)-1-phenylethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 66852997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).