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

C26H28N6O — CID 59619082

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

N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]pyridine-3-carboxamide (PubChem CID 59619082) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]pyridine-3-carboxamide
• PubChem CID: 59619082
• Molecular Formula: C26H28N6O
• Molecular Weight: 440.55 g/mol
• Exact Mass: 440.23
• IUPAC Name: N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]pyridine-3-carboxamide
• SMILES: O=C(Nc1ccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)cc1)c1cccnc1
• InChI: InChI=1S/C26H28N6O/c33-26(19-5-4-15-27-17-19)30-21-11-8-18(9-12-21)10-13-22-24-23(32-31-22)14-16-28-25(24)29-20-6-2-1-3-7-20/h4-5,8-9,11-12,14-17,20H,1-3,6-7,10,13H2,(H,28,29)(H,30,33)(H,31,32)
• InChIKey: FTXVKRAGOIUSNA-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 N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]pyridine-3-carboxamide (CID 59619082) is N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]pyridine-3-carboxamide.

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

The canonical SMILES for N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)cc1)c1cccnc1.

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

The InChIKey is FTXVKRAGOIUSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c33-26(19-5-4-15-27-17-19)30-21-11-8-18(9-12-21)10-13-22-24-23(32-31-22)14-16-28-25(24)29-20-6-2-1-3-7-20/h4-5,8-9,11-12,14-17,20H,1-3,6-7,10,13H2,(H,28,29)(H,30,33)(H,31,32).

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

N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]pyridine-3-carboxamide 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 N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 59619082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).