3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-methoxy-1-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]pyrazolo[4,3-c]pyridine;4-methoxy-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine

C47H42ClN15O3 — CID 159140228

About 3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-methoxy-1-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]pyrazolo[4,3-c]pyridine;4-methoxy-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine

3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-methoxy-1-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]pyrazolo[4,3-c]pyridine;4-methoxy-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine (PubChem CID 159140228) has the molecular formula C47H42ClN15O3 and a molecular weight of 900.41 g/mol. Its IUPAC name is 3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-methoxy-1-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]pyrazolo[4,3-c]pyridine;4-methoxy-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-methoxy-1-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]pyrazolo[4,3-c]pyridine;4-methoxy-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine
• PubChem CID: 159140228
• Molecular Formula: C47H42ClN15O3
• Molecular Weight: 900.41 g/mol
• Exact Mass: 899.33
• IUPAC Name: 3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-methoxy-1-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]pyrazolo[4,3-c]pyridine;4-methoxy-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine
• SMILES: COc1nccc2c1C(c1ccnc(-c3cnn(C)c3)c1)=NC2.COc1nccc2c1c(-c1ccnc(-c3cnn(C)c3)c1)nn2C.COc1nccc2c1c(-c1ccnc(Cl)c1)nn2C
• InChI: InChI=1S/C17H16N6O.C17H15N5O.C13H11ClN4O/c1-22-10-12(9-20-22)13-8-11(4-6-18-13)16-15-14(23(2)21-16)5-7-19-17(15)24-3;1-22-10-13(9-21-22)14-7-11(3-5-18-14)16-15-12(8-20-16)4-6-19-17(15)23-2;1-18-9-4-6-16-13(19-2)11(9)12(17-18)8-3-5-15-10(14)7-8/h4-10H,1-3H3;3-7,9-10H,8H2,1-2H3;3-7H,1-2H3
• InChIKey: KHZUOGVEQHDGQQ-UHFFFAOYSA-N
• XLogP: 7.37
• TPSA: 188.67 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	900.41
LogP ≤ 5	7.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-methoxy-1-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]pyrazolo[4,3-c]pyridine;4-methoxy-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine?

The IUPAC name of 3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-methoxy-1-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]pyrazolo[4,3-c]pyridine;4-methoxy-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine (CID 159140228) is 3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-methoxy-1-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]pyrazolo[4,3-c]pyridine;4-methoxy-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine.

What is the SMILES notation for 3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-methoxy-1-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]pyrazolo[4,3-c]pyridine;4-methoxy-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine?

The canonical SMILES for 3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-methoxy-1-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]pyrazolo[4,3-c]pyridine;4-methoxy-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine is COc1nccc2c1C(c1ccnc(-c3cnn(C)c3)c1)=NC2.COc1nccc2c1c(-c1ccnc(-c3cnn(C)c3)c1)nn2C.COc1nccc2c1c(-c1ccnc(Cl)c1)nn2C.

What is the InChIKey of 3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-methoxy-1-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]pyrazolo[4,3-c]pyridine;4-methoxy-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine?

The InChIKey is KHZUOGVEQHDGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O.C17H15N5O.C13H11ClN4O/c1-22-10-12(9-20-22)13-8-11(4-6-18-13)16-15-14(23(2)21-16)5-7-19-17(15)24-3;1-22-10-13(9-21-22)14-7-11(3-5-18-14)16-15-12(8-20-16)4-6-19-17(15)23-2;1-18-9-4-6-16-13(19-2)11(9)12(17-18)8-3-5-15-10(14)7-8/h4-10H,1-3H3;3-7,9-10H,8H2,1-2H3;3-7H,1-2H3.

What are the key properties of 3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-methoxy-1-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]pyrazolo[4,3-c]pyridine;4-methoxy-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine?

3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-methoxy-1-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]pyrazolo[4,3-c]pyridine;4-methoxy-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine has a molecular weight of 900.41 g/mol, XLogP of 7.37, 8 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;4-methoxy-1-methyl-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]pyrazolo[4,3-c]pyridine;4-methoxy-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 159140228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).