N-[5-[6-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide

C32H27F2N7O3S — CID 161374553

About N-[5-[6-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide

N-[5-[6-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide (PubChem CID 161374553) has the molecular formula C32H27F2N7O3S and a molecular weight of 627.68 g/mol. Its IUPAC name is N-[5-[6-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[6-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
• PubChem CID: 161374553
• Molecular Formula: C32H27F2N7O3S
• Molecular Weight: 627.68 g/mol
• Exact Mass: 627.19
• IUPAC Name: N-[5-[6-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
• SMILES: CS(=O)(=O)CCc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5cc(F)c(-c6cncc(NC(=O)C7CCC7)c6)cc45)[nH]c23)c1
• InChI: InChI=1S/C32H27F2N7O3S/c1-45(43,44)8-6-17-9-19(11-21(33)10-17)23-5-7-36-30-28(23)38-31(39-30)29-25-13-24(26(34)14-27(25)40-41-29)20-12-22(16-35-15-20)37-32(42)18-3-2-4-18/h5,7,9-16,18H,2-4,6,8H2,1H3,(H,37,42)(H,40,41)(H,36,38,39)
• InChIKey: VQXCHONIFSRTIQ-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 146.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	627.68
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide?

The IUPAC name of N-[5-[6-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide (CID 161374553) is N-[5-[6-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide.

What is the SMILES notation for N-[5-[6-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide?

The canonical SMILES for N-[5-[6-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide is CS(=O)(=O)CCc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5cc(F)c(-c6cncc(NC(=O)C7CCC7)c6)cc45)[nH]c23)c1.

What is the InChIKey of N-[5-[6-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide?

The InChIKey is VQXCHONIFSRTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27F2N7O3S/c1-45(43,44)8-6-17-9-19(11-21(33)10-17)23-5-7-36-30-28(23)38-31(39-30)29-25-13-24(26(34)14-27(25)40-41-29)20-12-22(16-35-15-20)37-32(42)18-3-2-4-18/h5,7,9-16,18H,2-4,6,8H2,1H3,(H,37,42)(H,40,41)(H,36,38,39).

What are the key properties of N-[5-[6-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide?

N-[5-[6-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide has a molecular weight of 627.68 g/mol, XLogP of 5.83, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[6-fluoro-3-[7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 161374553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).