N-[5-[3-[7-(5-fluorocyclohex-2-en-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide

C26H23FN8O — CID 137082114

About N-[5-[3-[7-(5-fluorocyclohex-2-en-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide

N-[5-[3-[7-(5-fluorocyclohex-2-en-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide (PubChem CID 137082114) has the molecular formula C26H23FN8O and a molecular weight of 482.52 g/mol. Its IUPAC name is N-[5-[3-[7-(5-fluorocyclohex-2-en-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: N-[5-[3-[7-(5-fluorocyclohex-2-en-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
• PubChem CID: 137082114
• Molecular Formula: C26H23FN8O
• Molecular Weight: 482.52 g/mol
• Exact Mass: 482.20
• IUPAC Name: N-[5-[3-[7-(5-fluorocyclohex-2-en-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
• SMILES: CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C6C=CCC(F)C6)cncc5[nH]4)c3c2)c1
• InChI: InChI=1S/C26H23FN8O/c1-2-22(36)31-18-7-15(9-28-11-18)16-8-19-24(34-35-25(19)30-10-16)26-32-21-13-29-12-20(23(21)33-26)14-4-3-5-17(27)6-14/h3-4,7-14,17H,2,5-6H2,1H3,(H,31,36)(H,32,33)(H,30,34,35)
• InChIKey: LTFHIBWIAWGSAQ-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 125.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.52
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-(5-fluorocyclohex-2-en-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?

The IUPAC name of N-[5-[3-[7-(5-fluorocyclohex-2-en-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide (CID 137082114) is N-[5-[3-[7-(5-fluorocyclohex-2-en-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide.

What is the SMILES notation for N-[5-[3-[7-(5-fluorocyclohex-2-en-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?

The canonical SMILES for N-[5-[3-[7-(5-fluorocyclohex-2-en-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide is CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C6C=CCC(F)C6)cncc5[nH]4)c3c2)c1.

What is the InChIKey of N-[5-[3-[7-(5-fluorocyclohex-2-en-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?

The InChIKey is LTFHIBWIAWGSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN8O/c1-2-22(36)31-18-7-15(9-28-11-18)16-8-19-24(34-35-25(19)30-10-16)26-32-21-13-29-12-20(23(21)33-26)14-4-3-5-17(27)6-14/h3-4,7-14,17H,2,5-6H2,1H3,(H,31,36)(H,32,33)(H,30,34,35).

What are the key properties of N-[5-[3-[7-(5-fluorocyclohex-2-en-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?

N-[5-[3-[7-(5-fluorocyclohex-2-en-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide has a molecular weight of 482.52 g/mol, XLogP of 5.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[7-(5-fluorocyclohex-2-en-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 137082114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).