1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(5-propan-2-ylpyridazin-3-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,5-naphthyridin-2-amine

C42H46N12O — CID 158414613

About 1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(5-propan-2-ylpyridazin-3-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,5-naphthyridin-2-amine

1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(5-propan-2-ylpyridazin-3-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,5-naphthyridin-2-amine (PubChem CID 158414613) has the molecular formula C42H46N12O and a molecular weight of 734.91 g/mol. Its IUPAC name is 1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(5-propan-2-ylpyridazin-3-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

• Compound Name: 1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(5-propan-2-ylpyridazin-3-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,5-naphthyridin-2-amine
• PubChem CID: 158414613
• Molecular Formula: C42H46N12O
• Molecular Weight: 734.91 g/mol
• Exact Mass: 734.39
• IUPAC Name: 1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(5-propan-2-ylpyridazin-3-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,5-naphthyridin-2-amine
• SMILES: CC(=O)N1CC=C(c2cnc3ccc(Nc4cc(C(C)C)cnn4)nc3c2)CC1.CC(C)c1cnnc(Nc2ccc3ncc(C4=CCNCC4)cc3n2)c1
• InChI: InChI=1S/C22H24N6O.C20H22N6/c1-14(2)17-11-22(27-24-13-17)26-21-5-4-19-20(25-21)10-18(12-23-19)16-6-8-28(9-7-16)15(3)29;1-13(2)15-10-20(26-23-12-15)25-19-4-3-17-18(24-19)9-16(11-22-17)14-5-7-21-8-6-14/h4-6,10-14H,7-9H2,1-3H3,(H,25,26,27);3-5,9-13,21H,6-8H2,1-2H3,(H,24,25,26)
• InChIKey: GZSQKWGWQQCZMR-UHFFFAOYSA-N
• XLogP: 7.59
• TPSA: 159.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	734.91
LogP ≤ 5	7.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(5-propan-2-ylpyridazin-3-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,5-naphthyridin-2-amine?

The IUPAC name of 1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(5-propan-2-ylpyridazin-3-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,5-naphthyridin-2-amine (CID 158414613) is 1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(5-propan-2-ylpyridazin-3-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,5-naphthyridin-2-amine.

What is the SMILES notation for 1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(5-propan-2-ylpyridazin-3-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,5-naphthyridin-2-amine?

The canonical SMILES for 1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(5-propan-2-ylpyridazin-3-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,5-naphthyridin-2-amine is CC(=O)N1CC=C(c2cnc3ccc(Nc4cc(C(C)C)cnn4)nc3c2)CC1.CC(C)c1cnnc(Nc2ccc3ncc(C4=CCNCC4)cc3n2)c1.

What is the InChIKey of 1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(5-propan-2-ylpyridazin-3-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,5-naphthyridin-2-amine?

The InChIKey is GZSQKWGWQQCZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O.C20H22N6/c1-14(2)17-11-22(27-24-13-17)26-21-5-4-19-20(25-21)10-18(12-23-19)16-6-8-28(9-7-16)15(3)29;1-13(2)15-10-20(26-23-12-15)25-19-4-3-17-18(24-19)9-16(11-22-17)14-5-7-21-8-6-14/h4-6,10-14H,7-9H2,1-3H3,(H,25,26,27);3-5,9-13,21H,6-8H2,1-2H3,(H,24,25,26).

What are the key properties of 1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(5-propan-2-ylpyridazin-3-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,5-naphthyridin-2-amine?

1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(5-propan-2-ylpyridazin-3-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,5-naphthyridin-2-amine has a molecular weight of 734.91 g/mol, XLogP of 7.59, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;N-(5-propan-2-ylpyridazin-3-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 158414613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).