N-[3-fluoro-4-[[6-(oxan-4-ylamino)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide;methanesulfinic acid

About N-[3-fluoro-4-[[6-(oxan-4-ylamino)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide;methanesulfinic acid

N-[3-fluoro-4-[[6-(oxan-4-ylamino)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide;methanesulfinic acid (PubChem CID 143930565) has the molecular formula C33H33F2N5O6S and a molecular weight of 665.72 g/mol. Its IUPAC name is N-[3-fluoro-4-[[6-(oxan-4-ylamino)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide;methanesulfinic acid.

Molecular Properties

Compound Name	N-[3-fluoro-4-[[6-(oxan-4-ylamino)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide;methanesulfinic acid
PubChem CID	143930565
Molecular Formula	C33H33F2N5O6S
Molecular Weight	665.72 g/mol
Exact Mass	665.21
IUPAC Name	N-[3-fluoro-4-[[6-(oxan-4-ylamino)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide;methanesulfinic acid
SMILES	CS(=O)O.Cc1cc(C)n(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2cc3cn[nH]c3cc2NC2CCOCC2)c(F)c1
InChI	InChI=1S/C32H29F2N5O4.CH4O2S/c1-18-13-19(2)39(24-6-3-21(33)4-7-24)32(41)30(18)31(40)37-23-5-8-28(25(34)15-23)43-29-14-20-17-35-38-26(20)16-27(29)36-22-9-11-42-12-10-22;1-4(2)3/h3-8,13-17,22,36H,9-12H2,1-2H3,(H,35,38)(H,37,40);1H3,(H,2,3)
InChIKey	MFYZQOFZNGPHLC-UHFFFAOYSA-N
XLogP	6.08
TPSA	147.57 Å²
H-Bond Donors	4
H-Bond Acceptors	8
Rotatable Bonds	7
Heavy Atoms	47
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.72
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[[6-(oxan-4-ylamino)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide;methanesulfinic acid?

The IUPAC name of N-[3-fluoro-4-[[6-(oxan-4-ylamino)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide;methanesulfinic acid (CID 143930565) is N-[3-fluoro-4-[[6-(oxan-4-ylamino)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide;methanesulfinic acid.

What is the SMILES notation for N-[3-fluoro-4-[[6-(oxan-4-ylamino)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide;methanesulfinic acid?

The canonical SMILES for N-[3-fluoro-4-[[6-(oxan-4-ylamino)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide;methanesulfinic acid is CS(=O)O.Cc1cc(C)n(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2cc3cn[nH]c3cc2NC2CCOCC2)c(F)c1.

What is the InChIKey of N-[3-fluoro-4-[[6-(oxan-4-ylamino)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide;methanesulfinic acid?

The InChIKey is MFYZQOFZNGPHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29F2N5O4.CH4O2S/c1-18-13-19(2)39(24-6-3-21(33)4-7-24)32(41)30(18)31(40)37-23-5-8-28(25(34)15-23)43-29-14-20-17-35-38-26(20)16-27(29)36-22-9-11-42-12-10-22;1-4(2)3/h3-8,13-17,22,36H,9-12H2,1-2H3,(H,35,38)(H,37,40);1H3,(H,2,3).

What are the key properties of N-[3-fluoro-4-[[6-(oxan-4-ylamino)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide;methanesulfinic acid?

N-[3-fluoro-4-[[6-(oxan-4-ylamino)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide;methanesulfinic acid has a molecular weight of 665.72 g/mol, XLogP of 6.08, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-4-[[6-(oxan-4-ylamino)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide;methanesulfinic acid is sourced from PubChem (CID 143930565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).