5-chloro-1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine;5-chloro-3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridin-5-amine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine

C67H49Cl2N13 — CID 157408389

About 5-chloro-1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine;5-chloro-3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridin-5-amine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine

5-chloro-1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine;5-chloro-3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridin-5-amine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine (PubChem CID 157408389) has the molecular formula C67H49Cl2N13 and a molecular weight of 1107.13 g/mol. Its IUPAC name is 5-chloro-1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine;5-chloro-3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridin-5-amine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 5-chloro-1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine;5-chloro-3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridin-5-amine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine
• PubChem CID: 157408389
• Molecular Formula: C67H49Cl2N13
• Molecular Weight: 1107.13 g/mol
• Exact Mass: 1105.36
• IUPAC Name: 5-chloro-1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine;5-chloro-3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridin-5-amine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine
• SMILES: Clc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2n1.Cn1nc(-c2ccc3ccccc3c2)c2nc(Cl)ccc21.Cn1nc(-c2ccc3ccccc3c2)c2nc(N)ccc21.Cn1nc(-c2ccc3ccccc3c2)c2ncccc21
• InChI: InChI=1S/C17H12ClN3.C17H14N4.C17H13N3.C16H10ClN3/c2*1-21-14-8-9-15(18)19-17(14)16(20-21)13-7-6-11-4-2-3-5-12(11)10-13;1-20-15-7-4-10-18-17(15)16(19-20)14-9-8-12-5-2-3-6-13(12)11-14;17-14-8-7-13-16(18-14)15(20-19-13)12-6-5-10-3-1-2-4-11(10)9-12/h2-10H,1H3;2-10H,1H3,(H2,18,19);2-11H,1H3;1-9H,(H,19,20)
• InChIKey: BNZLVCVGBHOONG-UHFFFAOYSA-N
• XLogP: 16.03
• TPSA: 159.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1107.13
LogP ≤ 5	16.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine;5-chloro-3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridin-5-amine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine?

The IUPAC name of 5-chloro-1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine;5-chloro-3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridin-5-amine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine (CID 157408389) is 5-chloro-1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine;5-chloro-3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridin-5-amine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine.

What is the SMILES notation for 5-chloro-1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine;5-chloro-3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridin-5-amine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine?

The canonical SMILES for 5-chloro-1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine;5-chloro-3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridin-5-amine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine is Clc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2n1.Cn1nc(-c2ccc3ccccc3c2)c2nc(Cl)ccc21.Cn1nc(-c2ccc3ccccc3c2)c2nc(N)ccc21.Cn1nc(-c2ccc3ccccc3c2)c2ncccc21.

What is the InChIKey of 5-chloro-1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine;5-chloro-3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridin-5-amine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine?

The InChIKey is BNZLVCVGBHOONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3.C17H14N4.C17H13N3.C16H10ClN3/c2*1-21-14-8-9-15(18)19-17(14)16(20-21)13-7-6-11-4-2-3-5-12(11)10-13;1-20-15-7-4-10-18-17(15)16(19-20)14-9-8-12-5-2-3-6-13(12)11-14;17-14-8-7-13-16(18-14)15(20-19-13)12-6-5-10-3-1-2-4-11(10)9-12/h2-10H,1H3;2-10H,1H3,(H2,18,19);2-11H,1H3;1-9H,(H,19,20).

What are the key properties of 5-chloro-1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine;5-chloro-3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridin-5-amine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine?

5-chloro-1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine;5-chloro-3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridin-5-amine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine has a molecular weight of 1107.13 g/mol, XLogP of 16.03, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine;5-chloro-3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridin-5-amine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine is sourced from PubChem (CID 157408389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).