N-[(2E,4E)-4-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-6-methylhepta-2,4,6-trien-2-yl]pentanamide

C31H30FN7O — CID 145253205

About N-[(2E,4E)-4-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-6-methylhepta-2,4,6-trien-2-yl]pentanamide

N-[(2E,4E)-4-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-6-methylhepta-2,4,6-trien-2-yl]pentanamide (PubChem CID 145253205) has the molecular formula C31H30FN7O and a molecular weight of 535.63 g/mol. Its IUPAC name is N-[(2E,4E)-4-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-6-methylhepta-2,4,6-trien-2-yl]pentanamide.

Molecular Properties

• Compound Name: N-[(2E,4E)-4-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-6-methylhepta-2,4,6-trien-2-yl]pentanamide
• PubChem CID: 145253205
• Molecular Formula: C31H30FN7O
• Molecular Weight: 535.63 g/mol
• Exact Mass: 535.25
• IUPAC Name: N-[(2E,4E)-4-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-6-methylhepta-2,4,6-trien-2-yl]pentanamide
• SMILES: C=C(C)/C=C(\C=C(/C)NC(=O)CCCC)c1ccc2[nH]nc(-c3nc4nccc(-c5ccc(F)cc5)c4[nH]3)c2n1
• InChI: InChI=1S/C31H30FN7O/c1-5-6-7-26(40)34-19(4)17-21(16-18(2)3)24-12-13-25-28(35-24)29(39-38-25)31-36-27-23(14-15-33-30(27)37-31)20-8-10-22(32)11-9-20/h8-17H,2,5-7H2,1,3-4H3,(H,34,40)(H,38,39)(H,33,36,37)/b19-17+,21-16+
• InChIKey: WEIXUULEFZEKKZ-WANOJPBXSA-N
• XLogP: 6.87
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.63
LogP ≤ 5	6.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4E)-4-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-6-methylhepta-2,4,6-trien-2-yl]pentanamide?

The IUPAC name of N-[(2E,4E)-4-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-6-methylhepta-2,4,6-trien-2-yl]pentanamide (CID 145253205) is N-[(2E,4E)-4-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-6-methylhepta-2,4,6-trien-2-yl]pentanamide.

What is the SMILES notation for N-[(2E,4E)-4-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-6-methylhepta-2,4,6-trien-2-yl]pentanamide?

The canonical SMILES for N-[(2E,4E)-4-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-6-methylhepta-2,4,6-trien-2-yl]pentanamide is C=C(C)/C=C(\C=C(/C)NC(=O)CCCC)c1ccc2[nH]nc(-c3nc4nccc(-c5ccc(F)cc5)c4[nH]3)c2n1.

What is the InChIKey of N-[(2E,4E)-4-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-6-methylhepta-2,4,6-trien-2-yl]pentanamide?

The InChIKey is WEIXUULEFZEKKZ-WANOJPBXSA-N. The full InChI is InChI=1S/C31H30FN7O/c1-5-6-7-26(40)34-19(4)17-21(16-18(2)3)24-12-13-25-28(35-24)29(39-38-25)31-36-27-23(14-15-33-30(27)37-31)20-8-10-22(32)11-9-20/h8-17H,2,5-7H2,1,3-4H3,(H,34,40)(H,38,39)(H,33,36,37)/b19-17+,21-16+.

What are the key properties of N-[(2E,4E)-4-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-6-methylhepta-2,4,6-trien-2-yl]pentanamide?

N-[(2E,4E)-4-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-6-methylhepta-2,4,6-trien-2-yl]pentanamide has a molecular weight of 535.63 g/mol, XLogP of 6.87, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2E,4E)-4-[3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-6-methylhepta-2,4,6-trien-2-yl]pentanamide is sourced from PubChem (CID 145253205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).