2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol;2-[4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanol

C43H50ClN13O2 — CID 158335171

About 2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol;2-[4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanol

2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol;2-[4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanol (PubChem CID 158335171) has the molecular formula C43H50ClN13O2 and a molecular weight of 816.42 g/mol. Its IUPAC name is 2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol;2-[4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol;2-[4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanol
• PubChem CID: 158335171
• Molecular Formula: C43H50ClN13O2
• Molecular Weight: 816.42 g/mol
• Exact Mass: 815.39
• IUPAC Name: 2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol;2-[4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanol
• SMILES: CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(C5CCN(CCO)CC5)c4)cc3n2)c1.OCCN1CCC(n2cc(-c3cnc4ccc(Cl)nc4c3)cn2)CC1
• InChI: InChI=1S/C25H30N8O.C18H20ClN5O/c1-17(2)18-12-25(31-27-14-18)30-24-4-3-22-23(29-24)11-19(13-26-22)20-15-28-33(16-20)21-5-7-32(8-6-21)9-10-34;19-18-2-1-16-17(22-18)9-13(10-20-16)14-11-21-24(12-14)15-3-5-23(6-4-15)7-8-25/h3-4,11-17,21,34H,5-10H2,1-2H3,(H,29,30,31);1-2,9-12,15,25H,3-8H2
• InChIKey: GQMLDPIVRCMFHM-UHFFFAOYSA-N
• XLogP: 6.56
• TPSA: 171.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	816.42
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol;2-[4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanol?

The IUPAC name of 2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol;2-[4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanol (CID 158335171) is 2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol;2-[4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanol.

What is the SMILES notation for 2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol;2-[4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanol?

The canonical SMILES for 2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol;2-[4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanol is CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(C5CCN(CCO)CC5)c4)cc3n2)c1.OCCN1CCC(n2cc(-c3cnc4ccc(Cl)nc4c3)cn2)CC1.

What is the InChIKey of 2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol;2-[4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanol?

The InChIKey is GQMLDPIVRCMFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O.C18H20ClN5O/c1-17(2)18-12-25(31-27-14-18)30-24-4-3-22-23(29-24)11-19(13-26-22)20-15-28-33(16-20)21-5-7-32(8-6-21)9-10-34;19-18-2-1-16-17(22-18)9-13(10-20-16)14-11-21-24(12-14)15-3-5-23(6-4-15)7-8-25/h3-4,11-17,21,34H,5-10H2,1-2H3,(H,29,30,31);1-2,9-12,15,25H,3-8H2.

What are the key properties of 2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol;2-[4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanol?

2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol;2-[4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanol has a molecular weight of 816.42 g/mol, XLogP of 6.56, 11 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol;2-[4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 158335171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).