6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-N-[3-(dimethylamino)propyl]-7-fluoro-2H-indazole-3-carboxamide

About 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-N-[3-(dimethylamino)propyl]-7-fluoro-2H-indazole-3-carboxamide

6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-N-[3-(dimethylamino)propyl]-7-fluoro-2H-indazole-3-carboxamide (PubChem CID 167549858) has the molecular formula C26H25F4N5O4S and a molecular weight of 579.58 g/mol. Its IUPAC name is 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-N-[3-(dimethylamino)propyl]-7-fluoro-2H-indazole-3-carboxamide.

Molecular Properties

Compound Name	6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-N-[3-(dimethylamino)propyl]-7-fluoro-2H-indazole-3-carboxamide
PubChem CID	167549858
Molecular Formula	C26H25F4N5O4S
Molecular Weight	579.58 g/mol
Exact Mass	579.16
IUPAC Name	6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-N-[3-(dimethylamino)propyl]-7-fluoro-2H-indazole-3-carboxamide
SMILES	COc1ncc(F)cc1S(=O)(=O)Cc1ccc(F)c(-c2ccc3c(C(=O)NCCCN(C)C)[nH]nc3c2F)c1F
InChI	InChI=1S/C26H25F4N5O4S/c1-35(2)10-4-9-31-25(36)24-17-7-6-16(22(30)23(17)33-34-24)20-18(28)8-5-14(21(20)29)13-40(37,38)19-11-15(27)12-32-26(19)39-3/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,31,36)(H,33,34)
InChIKey	CGNYVOARYJWNIF-UHFFFAOYSA-N
XLogP	3.85
TPSA	117.28 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	10
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.58
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-N-[3-(dimethylamino)propyl]-7-fluoro-2H-indazole-3-carboxamide?

The IUPAC name of 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-N-[3-(dimethylamino)propyl]-7-fluoro-2H-indazole-3-carboxamide (CID 167549858) is 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-N-[3-(dimethylamino)propyl]-7-fluoro-2H-indazole-3-carboxamide.

What is the SMILES notation for 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-N-[3-(dimethylamino)propyl]-7-fluoro-2H-indazole-3-carboxamide?

The canonical SMILES for 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-N-[3-(dimethylamino)propyl]-7-fluoro-2H-indazole-3-carboxamide is COc1ncc(F)cc1S(=O)(=O)Cc1ccc(F)c(-c2ccc3c(C(=O)NCCCN(C)C)[nH]nc3c2F)c1F.

What is the InChIKey of 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-N-[3-(dimethylamino)propyl]-7-fluoro-2H-indazole-3-carboxamide?

The InChIKey is CGNYVOARYJWNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F4N5O4S/c1-35(2)10-4-9-31-25(36)24-17-7-6-16(22(30)23(17)33-34-24)20-18(28)8-5-14(21(20)29)13-40(37,38)19-11-15(27)12-32-26(19)39-3/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,31,36)(H,33,34).

What are the key properties of 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-N-[3-(dimethylamino)propyl]-7-fluoro-2H-indazole-3-carboxamide?

6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-N-[3-(dimethylamino)propyl]-7-fluoro-2H-indazole-3-carboxamide has a molecular weight of 579.58 g/mol, XLogP of 3.85, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-N-[3-(dimethylamino)propyl]-7-fluoro-2H-indazole-3-carboxamide is sourced from PubChem (CID 167549858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).