7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C25H24N8 — CID 90289457

About 7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 90289457) has the molecular formula C25H24N8 and a molecular weight of 436.52 g/mol. Its IUPAC name is 7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

• Compound Name: 7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
• PubChem CID: 90289457
• Molecular Formula: C25H24N8
• Molecular Weight: 436.52 g/mol
• Exact Mass: 436.21
• IUPAC Name: 7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
• SMILES: Cc1ccncc1-c1nn(C)cc1-c1cnc2ccc(Nc3cc(C(C)C)cnn3)nc2c1
• InChI: InChI=1S/C25H24N8/c1-15(2)17-10-24(31-28-12-17)30-23-6-5-21-22(29-23)9-18(11-27-21)20-14-33(4)32-25(20)19-13-26-8-7-16(19)3/h5-15H,1-4H3,(H,29,30,31)
• InChIKey: CONJMEUBWTVKDZ-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 94.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.52
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

The IUPAC name of 7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 90289457) is 7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

What is the SMILES notation for 7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

The canonical SMILES for 7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is Cc1ccncc1-c1nn(C)cc1-c1cnc2ccc(Nc3cc(C(C)C)cnn3)nc2c1.

What is the InChIKey of 7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

The InChIKey is CONJMEUBWTVKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8/c1-15(2)17-10-24(31-28-12-17)30-23-6-5-21-22(29-23)9-18(11-27-21)20-14-33(4)32-25(20)19-13-26-8-7-16(19)3/h5-15H,1-4H3,(H,29,30,31).

What are the key properties of 7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 436.52 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[1-methyl-3-(4-methyl-3-pyridinyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90289457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).