[5-[[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]-2-pyridinyl]methanol

C25H24N8O — CID 118504052

About [5-[[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]-2-pyridinyl]methanol

[5-[[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]-2-pyridinyl]methanol (PubChem CID 118504052) has the molecular formula C25H24N8O and a molecular weight of 452.52 g/mol. Its IUPAC name is [5-[[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]-2-pyridinyl]methanol.

Molecular Properties

• Compound Name: [5-[[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]-2-pyridinyl]methanol
• PubChem CID: 118504052
• Molecular Formula: C25H24N8O
• Molecular Weight: 452.52 g/mol
• Exact Mass: 452.21
• IUPAC Name: [5-[[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]-2-pyridinyl]methanol
• SMILES: CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(Cc5ccc(CO)nc5)c4)cc3n2)c1
• InChI: InChI=1S/C25H24N8O/c1-16(2)18-8-25(32-28-11-18)31-24-6-5-22-23(30-24)7-19(10-27-22)20-12-29-33(14-20)13-17-3-4-21(15-34)26-9-17/h3-12,14,16,34H,13,15H2,1-2H3,(H,30,31,32)
• InChIKey: RLQNAZCASOVTIE-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 114.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.52
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [5-[[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]-2-pyridinyl]methanol?

The IUPAC name of [5-[[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]-2-pyridinyl]methanol (CID 118504052) is [5-[[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]-2-pyridinyl]methanol.

What is the SMILES notation for [5-[[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]-2-pyridinyl]methanol?

The canonical SMILES for [5-[[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]-2-pyridinyl]methanol is CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(Cc5ccc(CO)nc5)c4)cc3n2)c1.

What is the InChIKey of [5-[[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]-2-pyridinyl]methanol?

The InChIKey is RLQNAZCASOVTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O/c1-16(2)18-8-25(32-28-11-18)31-24-6-5-22-23(30-24)7-19(10-27-22)20-12-29-33(14-20)13-17-3-4-21(15-34)26-9-17/h3-12,14,16,34H,13,15H2,1-2H3,(H,30,31,32).

What are the key properties of [5-[[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]-2-pyridinyl]methanol?

[5-[[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]-2-pyridinyl]methanol has a molecular weight of 452.52 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]-2-pyridinyl]methanol is sourced from PubChem (CID 118504052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).