4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide

C26H28N6O — CID 59618919

About 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide

4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide (PubChem CID 59618919) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

• Compound Name: 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide
• PubChem CID: 59618919
• Molecular Formula: C26H28N6O
• Molecular Weight: 440.55 g/mol
• Exact Mass: 440.23
• IUPAC Name: 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide
• SMILES: O=C(Nc1ccncc1)c1ccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)cc1
• InChI: InChI=1S/C26H28N6O/c33-26(30-21-12-15-27-16-13-21)19-9-6-18(7-10-19)8-11-22-24-23(32-31-22)14-17-28-25(24)29-20-4-2-1-3-5-20/h6-7,9-10,12-17,20H,1-5,8,11H2,(H,28,29)(H,31,32)(H,27,30,33)
• InChIKey: YBFDECAHJGBMMQ-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 95.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.55
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide?

The IUPAC name of 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide (CID 59618919) is 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide.

What is the SMILES notation for 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide?

The canonical SMILES for 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1ccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)cc1.

What is the InChIKey of 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide?

The InChIKey is YBFDECAHJGBMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c33-26(30-21-12-15-27-16-13-21)19-9-6-18(7-10-19)8-11-22-24-23(32-31-22)14-17-28-25(24)29-20-4-2-1-3-5-20/h6-7,9-10,12-17,20H,1-5,8,11H2,(H,28,29)(H,31,32)(H,27,30,33).

What are the key properties of 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide?

4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide has a molecular weight of 440.55 g/mol, XLogP of 5.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 59618919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).