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

C30H24F2N8O3S — CID 137135822

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

N-[5-[4-fluoro-3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 137135822) has the molecular formula C30H24F2N8O3S and a molecular weight of 614.64 g/mol. Its IUPAC name is N-[5-[4-fluoro-3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[4-fluoro-3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
• PubChem CID: 137135822
• Molecular Formula: C30H24F2N8O3S
• Molecular Weight: 614.64 g/mol
• Exact Mass: 614.17
• IUPAC Name: N-[5-[4-fluoro-3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
• SMILES: CS(=O)(=O)NCc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(NC(=O)C7CC7)c6)c(F)c45)[nH]c23)c1
• InChI: InChI=1S/C30H24F2N8O3S/c1-44(42,43)35-12-15-8-17(10-19(31)9-15)22-6-7-34-28-26(22)37-29(38-28)27-24-23(39-40-27)5-4-21(25(24)32)18-11-20(14-33-13-18)36-30(41)16-2-3-16/h4-11,13-14,16,35H,2-3,12H2,1H3,(H,36,41)(H,39,40)(H,34,37,38)
• InChIKey: IPDUENKKVBGAGR-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 158.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	614.64
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-[4-fluoro-3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide (CID 137135822) is N-[5-[4-fluoro-3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide.

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

The canonical SMILES for N-[5-[4-fluoro-3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide is CS(=O)(=O)NCc1cc(F)cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(NC(=O)C7CC7)c6)c(F)c45)[nH]c23)c1.

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

The InChIKey is IPDUENKKVBGAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F2N8O3S/c1-44(42,43)35-12-15-8-17(10-19(31)9-15)22-6-7-34-28-26(22)37-29(38-28)27-24-23(39-40-27)5-4-21(25(24)32)18-11-20(14-33-13-18)36-30(41)16-2-3-16/h4-11,13-14,16,35H,2-3,12H2,1H3,(H,36,41)(H,39,40)(H,34,37,38).

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

N-[5-[4-fluoro-3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 614.64 g/mol, XLogP of 4.91, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-fluoro-3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 137135822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).