8-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperidin-1-ylmethanone

C39H32Cl2N8O2 — CID 158113242

About 8-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperidin-1-ylmethanone

8-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperidin-1-ylmethanone (PubChem CID 158113242) has the molecular formula C39H32Cl2N8O2 and a molecular weight of 715.65 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: 8-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperidin-1-ylmethanone
• PubChem CID: 158113242
• Molecular Formula: C39H32Cl2N8O2
• Molecular Weight: 715.65 g/mol
• Exact Mass: 714.20
• IUPAC Name: 8-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperidin-1-ylmethanone
• SMILES: Cn1cc(NC(=O)c2ccc3cncc(-c4ccc(Cl)cc4)c3n2)cn1.O=C(c1ccc2cncc(-c3ccc(Cl)cc3)c2n1)N1CCCCC1
• InChI: InChI=1S/C20H18ClN3O.C19H14ClN5O/c21-16-7-4-14(5-8-16)17-13-22-12-15-6-9-18(23-19(15)17)20(25)24-10-2-1-3-11-24;1-25-11-15(9-22-25)23-19(26)17-7-4-13-8-21-10-16(18(13)24-17)12-2-5-14(20)6-3-12/h4-9,12-13H,1-3,10-11H2;2-11H,1H3,(H,23,26)
• InChIKey: FQRPFLUMVWROED-UHFFFAOYSA-N
• XLogP: 8.51
• TPSA: 118.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.65
LogP ≤ 5	8.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperidin-1-ylmethanone?

The IUPAC name of 8-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperidin-1-ylmethanone (CID 158113242) is 8-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperidin-1-ylmethanone.

What is the SMILES notation for 8-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperidin-1-ylmethanone?

The canonical SMILES for 8-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperidin-1-ylmethanone is Cn1cc(NC(=O)c2ccc3cncc(-c4ccc(Cl)cc4)c3n2)cn1.O=C(c1ccc2cncc(-c3ccc(Cl)cc3)c2n1)N1CCCCC1.

What is the InChIKey of 8-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperidin-1-ylmethanone?

The InChIKey is FQRPFLUMVWROED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O.C19H14ClN5O/c21-16-7-4-14(5-8-16)17-13-22-12-15-6-9-18(23-19(15)17)20(25)24-10-2-1-3-11-24;1-25-11-15(9-22-25)23-19(26)17-7-4-13-8-21-10-16(18(13)24-17)12-2-5-14(20)6-3-12/h4-9,12-13H,1-3,10-11H2;2-11H,1H3,(H,23,26).

What are the key properties of 8-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperidin-1-ylmethanone?

8-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 715.65 g/mol, XLogP of 8.51, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)-1,6-naphthyridine-2-carboxamide;[8-(4-chlorophenyl)-1,6-naphthyridin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 158113242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).