1-benzoyl-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]piperidine-4-carboxamide

C31H35N7O2 — CID 138588479

About 1-benzoyl-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]piperidine-4-carboxamide

1-benzoyl-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]piperidine-4-carboxamide (PubChem CID 138588479) has the molecular formula C31H35N7O2 and a molecular weight of 537.67 g/mol. Its IUPAC name is 1-benzoyl-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-benzoyl-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]piperidine-4-carboxamide
• PubChem CID: 138588479
• Molecular Formula: C31H35N7O2
• Molecular Weight: 537.67 g/mol
• Exact Mass: 537.29
• IUPAC Name: 1-benzoyl-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]piperidine-4-carboxamide
• SMILES: Cn1ncc(-c2cc3cc(NC(=O)C4CCN(C(=O)c5ccccc5)CC4)ncc3cn2)c1CN1CCCCC1
• InChI: InChI=1S/C31H35N7O2/c1-36-28(21-37-12-6-3-7-13-37)26(20-34-36)27-16-24-17-29(33-19-25(24)18-32-27)35-30(39)22-10-14-38(15-11-22)31(40)23-8-4-2-5-9-23/h2,4-5,8-9,16-20,22H,3,6-7,10-15,21H2,1H3,(H,33,35,39)
• InChIKey: FBPREAFLLZOEGW-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 96.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.67
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]piperidine-4-carboxamide?

The IUPAC name of 1-benzoyl-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]piperidine-4-carboxamide (CID 138588479) is 1-benzoyl-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]piperidine-4-carboxamide.

What is the SMILES notation for 1-benzoyl-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]piperidine-4-carboxamide?

The canonical SMILES for 1-benzoyl-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]piperidine-4-carboxamide is Cn1ncc(-c2cc3cc(NC(=O)C4CCN(C(=O)c5ccccc5)CC4)ncc3cn2)c1CN1CCCCC1.

What is the InChIKey of 1-benzoyl-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]piperidine-4-carboxamide?

The InChIKey is FBPREAFLLZOEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N7O2/c1-36-28(21-37-12-6-3-7-13-37)26(20-34-36)27-16-24-17-29(33-19-25(24)18-32-27)35-30(39)22-10-14-38(15-11-22)31(40)23-8-4-2-5-9-23/h2,4-5,8-9,16-20,22H,3,6-7,10-15,21H2,1H3,(H,33,35,39).

What are the key properties of 1-benzoyl-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]piperidine-4-carboxamide?

1-benzoyl-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]piperidine-4-carboxamide has a molecular weight of 537.67 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzoyl-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 138588479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).