6-chloro-1-methylpyrazolo[5,4-b]pyridine;2-chloro-7H-pyrrolo[3,4-b]pyridine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-amine

C49H60Cl2N12O4 — CID 157263710

About 6-chloro-1-methylpyrazolo[5,4-b]pyridine;2-chloro-7H-pyrrolo[3,4-b]pyridine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-amine

6-chloro-1-methylpyrazolo[5,4-b]pyridine;2-chloro-7H-pyrrolo[3,4-b]pyridine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-amine (PubChem CID 157263710) has the molecular formula C49H60Cl2N12O4 and a molecular weight of 952.01 g/mol. Its IUPAC name is 6-chloro-1-methylpyrazolo[5,4-b]pyridine;2-chloro-7H-pyrrolo[3,4-b]pyridine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-amine.

Molecular Properties

• Compound Name: 6-chloro-1-methylpyrazolo[5,4-b]pyridine;2-chloro-7H-pyrrolo[3,4-b]pyridine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-amine
• PubChem CID: 157263710
• Molecular Formula: C49H60Cl2N12O4
• Molecular Weight: 952.01 g/mol
• Exact Mass: 950.42
• IUPAC Name: 6-chloro-1-methylpyrazolo[5,4-b]pyridine;2-chloro-7H-pyrrolo[3,4-b]pyridine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-amine
• SMILES: COc1ccc(N)cc1OCCCN1CCCC1.COc1ccc(Nc2ccc3cnn(C)c3n2)cc1OCCCN1CCCC1.Clc1ccc2c(n1)CN=C2.Cn1ncc2ccc(Cl)nc21
• InChI: InChI=1S/C21H27N5O2.C14H22N2O2.C7H6ClN3.C7H5ClN2/c1-25-21-16(15-22-25)6-9-20(24-21)23-17-7-8-18(27-2)19(14-17)28-13-5-12-26-10-3-4-11-26;1-17-13-6-5-12(15)11-14(13)18-10-4-9-16-7-2-3-8-16;1-11-7-5(4-9-11)2-3-6(8)10-7;8-7-2-1-5-3-9-4-6(5)10-7/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,23,24);5-6,11H,2-4,7-10,15H2,1H3;2-4H,1H3;1-3H,4H2
• InChIKey: AXTJOVCGRLWSDW-UHFFFAOYSA-N
• XLogP: 9.02
• TPSA: 168.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	952.01
LogP ≤ 5	9.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methylpyrazolo[5,4-b]pyridine;2-chloro-7H-pyrrolo[3,4-b]pyridine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-amine?

The IUPAC name of 6-chloro-1-methylpyrazolo[5,4-b]pyridine;2-chloro-7H-pyrrolo[3,4-b]pyridine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-amine (CID 157263710) is 6-chloro-1-methylpyrazolo[5,4-b]pyridine;2-chloro-7H-pyrrolo[3,4-b]pyridine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-amine.

What is the SMILES notation for 6-chloro-1-methylpyrazolo[5,4-b]pyridine;2-chloro-7H-pyrrolo[3,4-b]pyridine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-amine?

The canonical SMILES for 6-chloro-1-methylpyrazolo[5,4-b]pyridine;2-chloro-7H-pyrrolo[3,4-b]pyridine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-amine is COc1ccc(N)cc1OCCCN1CCCC1.COc1ccc(Nc2ccc3cnn(C)c3n2)cc1OCCCN1CCCC1.Clc1ccc2c(n1)CN=C2.Cn1ncc2ccc(Cl)nc21.

What is the InChIKey of 6-chloro-1-methylpyrazolo[5,4-b]pyridine;2-chloro-7H-pyrrolo[3,4-b]pyridine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-amine?

The InChIKey is AXTJOVCGRLWSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2.C14H22N2O2.C7H6ClN3.C7H5ClN2/c1-25-21-16(15-22-25)6-9-20(24-21)23-17-7-8-18(27-2)19(14-17)28-13-5-12-26-10-3-4-11-26;1-17-13-6-5-12(15)11-14(13)18-10-4-9-16-7-2-3-8-16;1-11-7-5(4-9-11)2-3-6(8)10-7;8-7-2-1-5-3-9-4-6(5)10-7/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,23,24);5-6,11H,2-4,7-10,15H2,1H3;2-4H,1H3;1-3H,4H2.

What are the key properties of 6-chloro-1-methylpyrazolo[5,4-b]pyridine;2-chloro-7H-pyrrolo[3,4-b]pyridine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-amine?

6-chloro-1-methylpyrazolo[5,4-b]pyridine;2-chloro-7H-pyrrolo[3,4-b]pyridine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-amine has a molecular weight of 952.01 g/mol, XLogP of 9.02, 14 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-methylpyrazolo[5,4-b]pyridine;2-chloro-7H-pyrrolo[3,4-b]pyridine;4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)aniline;N-[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-amine is sourced from PubChem (CID 157263710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).