N-[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide

C30H26FN9O — CID 137055341

About N-[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide

N-[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide (PubChem CID 137055341) has the molecular formula C30H26FN9O and a molecular weight of 547.60 g/mol. Its IUPAC name is N-[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide.

Molecular Properties

• Compound Name: N-[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
• PubChem CID: 137055341
• Molecular Formula: C30H26FN9O
• Molecular Weight: 547.60 g/mol
• Exact Mass: 547.22
• IUPAC Name: N-[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
• SMILES: O=C(CC1CCNCC1)Nc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(-c6cccc(F)c6)c5[nH]4)c3c2)c1
• InChI: InChI=1S/C30H26FN9O/c31-21-3-1-2-18(11-21)23-6-9-34-29-26(23)37-30(38-29)27-24-13-20(15-35-28(24)40-39-27)19-12-22(16-33-14-19)36-25(41)10-17-4-7-32-8-5-17/h1-3,6,9,11-17,32H,4-5,7-8,10H2,(H,36,41)(H,34,37,38)(H,35,39,40)
• InChIKey: YNABGNVQEFGVSB-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 137.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.60
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide?

The IUPAC name of N-[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide (CID 137055341) is N-[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide.

What is the SMILES notation for N-[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide?

The canonical SMILES for N-[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide is O=C(CC1CCNCC1)Nc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(-c6cccc(F)c6)c5[nH]4)c3c2)c1.

What is the InChIKey of N-[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide?

The InChIKey is YNABGNVQEFGVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN9O/c31-21-3-1-2-18(11-21)23-6-9-34-29-26(23)37-30(38-29)27-24-13-20(15-35-28(24)40-39-27)19-12-22(16-33-14-19)36-25(41)10-17-4-7-32-8-5-17/h1-3,6,9,11-17,32H,4-5,7-8,10H2,(H,36,41)(H,34,37,38)(H,35,39,40).

What are the key properties of N-[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide?

N-[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide has a molecular weight of 547.60 g/mol, XLogP of 5.09, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 137055341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).