6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-cyclopentyl-7-fluoro-2H-indazole-3-carboxamide

C25H21ClF3N5O4S — CID 155193317

IUPAC6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-cyclopentyl-7-fluoro-2H-indazole-3-carboxamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(C(=O)NC4CCCC4)[nH]nc3c2F)c1F
InChIInChI=1S/C25H21ClF3N5O4S/c1-38-25-18(10-12(26)11-30-25)39(36,37)34-17-9-8-16(27)19(21(17)29)14-6-7-15-22(20(14)28)32-33-23(15)24(35)31-13-4-2-3-5-13/h6-11,13,34H,2-5H2,1H3,(H,31,35)(H,32,33)
InChIKeyWTOJHRGNUYMHCH-UHFFFAOYSA-N
MW579.99 g/mol
LogP5.18
Rot. Bonds7

About 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-cyclopentyl-7-fluoro-2H-indazole-3-carboxamide

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-cyclopentyl-7-fluoro-2H-indazole-3-carboxamide (PubChem CID 155193317) has the molecular formula C25H21ClF3N5O4S and a molecular weight of 579.99 g/mol. Its IUPAC name is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-cyclopentyl-7-fluoro-2H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-cyclopentyl-7-fluoro-2H-indazole-3-carboxamide
PubChem CID155193317
Molecular FormulaC25H21ClF3N5O4S
Molecular Weight579.99 g/mol
Exact Mass579.10
IUPAC Name6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-cyclopentyl-7-fluoro-2H-indazole-3-carboxamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(C(=O)NC4CCCC4)[nH]nc3c2F)c1F
InChIInChI=1S/C25H21ClF3N5O4S/c1-38-25-18(10-12(26)11-30-25)39(36,37)34-17-9-8-16(27)19(21(17)29)14-6-7-15-22(20(14)28)32-33-23(15)24(35)31-13-4-2-3-5-13/h6-11,13,34H,2-5H2,1H3,(H,31,35)(H,32,33)
InChIKeyWTOJHRGNUYMHCH-UHFFFAOYSA-N
XLogP5.18
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.99
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-cyclopentyl-7-fluoro-2H-indazole-3-carboxamide?
The IUPAC name of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-cyclopentyl-7-fluoro-2H-indazole-3-carboxamide (CID 155193317) is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-cyclopentyl-7-fluoro-2H-indazole-3-carboxamide.
What is the SMILES notation for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-cyclopentyl-7-fluoro-2H-indazole-3-carboxamide?
The canonical SMILES for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-cyclopentyl-7-fluoro-2H-indazole-3-carboxamide is COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(C(=O)NC4CCCC4)[nH]nc3c2F)c1F.
What is the InChIKey of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-cyclopentyl-7-fluoro-2H-indazole-3-carboxamide?
The InChIKey is WTOJHRGNUYMHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF3N5O4S/c1-38-25-18(10-12(26)11-30-25)39(36,37)34-17-9-8-16(27)19(21(17)29)14-6-7-15-22(20(14)28)32-33-23(15)24(35)31-13-4-2-3-5-13/h6-11,13,34H,2-5H2,1H3,(H,31,35)(H,32,33).
What are the key properties of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-cyclopentyl-7-fluoro-2H-indazole-3-carboxamide?
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-cyclopentyl-7-fluoro-2H-indazole-3-carboxamide has a molecular weight of 579.99 g/mol, XLogP of 5.18, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-cyclopentyl-7-fluoro-2H-indazole-3-carboxamide is sourced from PubChem (CID 155193317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).