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

C29H24F2N8O3S — CID 136938383

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

N-[5-[7-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]propanamide (PubChem CID 136938383) has the molecular formula C29H24F2N8O3S and a molecular weight of 602.63 g/mol. Its IUPAC name is N-[5-[7-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: N-[5-[7-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]propanamide
• PubChem CID: 136938383
• Molecular Formula: C29H24F2N8O3S
• Molecular Weight: 602.63 g/mol
• Exact Mass: 602.17
• IUPAC Name: N-[5-[7-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]propanamide
• SMILES: CCC(=O)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6cc(F)cc(CNS(C)(=O)=O)c6)nccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C29H24F2N8O3S/c1-3-24(40)35-20-9-18(13-32-14-20)16-10-21-26(22(31)11-16)38-39-27(21)29-36-23-4-5-33-25(28(23)37-29)17-6-15(7-19(30)8-17)12-34-43(2,41)42/h4-11,13-14,34H,3,12H2,1-2H3,(H,35,40)(H,36,37)(H,38,39)
• InChIKey: DSOCEXVAWQWWGQ-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 158.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	602.63
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-[7-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]propanamide?

The IUPAC name of N-[5-[7-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]propanamide (CID 136938383) is N-[5-[7-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]propanamide.

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

The canonical SMILES for N-[5-[7-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]propanamide is CCC(=O)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6cc(F)cc(CNS(C)(=O)=O)c6)nccc5[nH]4)c3c2)c1.

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

The InChIKey is DSOCEXVAWQWWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F2N8O3S/c1-3-24(40)35-20-9-18(13-32-14-20)16-10-21-26(22(31)11-16)38-39-27(21)29-36-23-4-5-33-25(28(23)37-29)17-6-15(7-19(30)8-17)12-34-43(2,41)42/h4-11,13-14,34H,3,12H2,1-2H3,(H,35,40)(H,36,37)(H,38,39).

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

N-[5-[7-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]propanamide has a molecular weight of 602.63 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-[7-fluoro-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 136938383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).