N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide

C32H24FN9O3S — CID 136946025

About N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide

N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide (PubChem CID 136946025) has the molecular formula C32H24FN9O3S and a molecular weight of 633.67 g/mol. Its IUPAC name is N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

• Compound Name: N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
• PubChem CID: 136946025
• Molecular Formula: C32H24FN9O3S
• Molecular Weight: 633.67 g/mol
• Exact Mass: 633.17
• IUPAC Name: N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
• SMILES: CS(=O)(=O)NCc1cc(F)cc(-c2ccnc3[nH]c(-c4n[nH]c5ncc(-c6cncc(NC(=O)c7ccccc7)c6)cc45)nc23)c1
• InChI: InChI=1S/C32H24FN9O3S/c1-46(44,45)37-14-18-9-20(11-23(33)10-18)25-7-8-35-30-27(25)39-31(40-30)28-26-13-22(16-36-29(26)42-41-28)21-12-24(17-34-15-21)38-32(43)19-5-3-2-4-6-19/h2-13,15-17,37H,14H2,1H3,(H,38,43)(H,35,39,40)(H,36,41,42)
• InChIKey: XMUXRQSVFVAGHM-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 171.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.67
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide?

The IUPAC name of N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide (CID 136946025) is N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide.

What is the SMILES notation for N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide?

The canonical SMILES for N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide is CS(=O)(=O)NCc1cc(F)cc(-c2ccnc3[nH]c(-c4n[nH]c5ncc(-c6cncc(NC(=O)c7ccccc7)c6)cc45)nc23)c1.

What is the InChIKey of N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide?

The InChIKey is XMUXRQSVFVAGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24FN9O3S/c1-46(44,45)37-14-18-9-20(11-23(33)10-18)25-7-8-35-30-27(25)39-31(40-30)28-26-13-22(16-36-29(26)42-41-28)21-12-24(17-34-15-21)38-32(43)19-5-3-2-4-6-19/h2-13,15-17,37H,14H2,1H3,(H,38,43)(H,35,39,40)(H,36,41,42).

What are the key properties of N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide?

N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide has a molecular weight of 633.67 g/mol, XLogP of 5.07, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 136946025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).