6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde;6-[cyclopentylmethyl(ethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde

C26H32ClN7O2 — CID 158784324

About 6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde;6-[cyclopentylmethyl(ethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde

6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde;6-[cyclopentylmethyl(ethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde (PubChem CID 158784324) has the molecular formula C26H32ClN7O2 and a molecular weight of 510.04 g/mol. Its IUPAC name is 6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde;6-[cyclopentylmethyl(ethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde.

Molecular Properties

• Compound Name: 6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde;6-[cyclopentylmethyl(ethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde
• PubChem CID: 158784324
• Molecular Formula: C26H32ClN7O2
• Molecular Weight: 510.04 g/mol
• Exact Mass: 509.23
• IUPAC Name: 6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde;6-[cyclopentylmethyl(ethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde
• SMILES: CCN(CC1CCCC1)c1nc2c(cc1C=O)c(C)nn2C.Cc1nn(C)c2nc(Cl)c(C=O)cc12
• InChI: InChI=1S/C17H24N4O.C9H8ClN3O/c1-4-21(10-13-7-5-6-8-13)16-14(11-22)9-15-12(2)19-20(3)17(15)18-16;1-5-7-3-6(4-14)8(10)11-9(7)13(2)12-5/h9,11,13H,4-8,10H2,1-3H3;3-4H,1-2H3
• InChIKey: IRMDSOZNUURAFI-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 98.80 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.04
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde;6-[cyclopentylmethyl(ethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde?

The IUPAC name of 6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde;6-[cyclopentylmethyl(ethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde (CID 158784324) is 6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde;6-[cyclopentylmethyl(ethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde.

What is the SMILES notation for 6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde;6-[cyclopentylmethyl(ethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde?

The canonical SMILES for 6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde;6-[cyclopentylmethyl(ethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde is CCN(CC1CCCC1)c1nc2c(cc1C=O)c(C)nn2C.Cc1nn(C)c2nc(Cl)c(C=O)cc12.

What is the InChIKey of 6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde;6-[cyclopentylmethyl(ethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde?

The InChIKey is IRMDSOZNUURAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.C9H8ClN3O/c1-4-21(10-13-7-5-6-8-13)16-14(11-22)9-15-12(2)19-20(3)17(15)18-16;1-5-7-3-6(4-14)8(10)11-9(7)13(2)12-5/h9,11,13H,4-8,10H2,1-3H3;3-4H,1-2H3.

What are the key properties of 6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde;6-[cyclopentylmethyl(ethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde?

6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde;6-[cyclopentylmethyl(ethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde has a molecular weight of 510.04 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde;6-[cyclopentylmethyl(ethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 158784324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).