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

C23H19ClF3N5O6S2 — CID 155193328

IUPAC6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(2-methylsulfonylethyl)-2H-indazole-3-carboxamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(C(=O)NCCS(C)(=O)=O)[nH]nc3c2F)c1F
InChIInChI=1S/C23H19ClF3N5O6S2/c1-38-23-16(9-11(24)10-29-23)40(36,37)32-15-6-5-14(25)17(19(15)27)12-3-4-13-20(18(12)26)30-31-21(13)22(33)28-7-8-39(2,34)35/h3-6,9-10,32H,7-8H2,1-2H3,(H,28,33)(H,30,31)
InChIKeyPAUOPGFJJNLSTD-UHFFFAOYSA-N
MW618.02 g/mol
LogP3.28
Rot. Bonds9

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

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(2-methylsulfonylethyl)-2H-indazole-3-carboxamide (PubChem CID 155193328) has the molecular formula C23H19ClF3N5O6S2 and a molecular weight of 618.02 g/mol. Its IUPAC name is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(2-methylsulfonylethyl)-2H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(2-methylsulfonylethyl)-2H-indazole-3-carboxamide
PubChem CID155193328
Molecular FormulaC23H19ClF3N5O6S2
Molecular Weight618.02 g/mol
Exact Mass617.04
IUPAC Name6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(2-methylsulfonylethyl)-2H-indazole-3-carboxamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(C(=O)NCCS(C)(=O)=O)[nH]nc3c2F)c1F
InChIInChI=1S/C23H19ClF3N5O6S2/c1-38-23-16(9-11(24)10-29-23)40(36,37)32-15-6-5-14(25)17(19(15)27)12-3-4-13-20(18(12)26)30-31-21(13)22(33)28-7-8-39(2,34)35/h3-6,9-10,32H,7-8H2,1-2H3,(H,28,33)(H,30,31)
InChIKeyPAUOPGFJJNLSTD-UHFFFAOYSA-N
XLogP3.28
TPSA160.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.02
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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]-7-fluoro-N-(2-methylsulfonylethyl)-2H-indazole-3-carboxamide?
The IUPAC name of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(2-methylsulfonylethyl)-2H-indazole-3-carboxamide (CID 155193328) is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(2-methylsulfonylethyl)-2H-indazole-3-carboxamide.
What is the SMILES notation for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(2-methylsulfonylethyl)-2H-indazole-3-carboxamide?
The canonical SMILES for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(2-methylsulfonylethyl)-2H-indazole-3-carboxamide is COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(C(=O)NCCS(C)(=O)=O)[nH]nc3c2F)c1F.
What is the InChIKey of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(2-methylsulfonylethyl)-2H-indazole-3-carboxamide?
The InChIKey is PAUOPGFJJNLSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3N5O6S2/c1-38-23-16(9-11(24)10-29-23)40(36,37)32-15-6-5-14(25)17(19(15)27)12-3-4-13-20(18(12)26)30-31-21(13)22(33)28-7-8-39(2,34)35/h3-6,9-10,32H,7-8H2,1-2H3,(H,28,33)(H,30,31).
What are the key properties of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(2-methylsulfonylethyl)-2H-indazole-3-carboxamide?
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(2-methylsulfonylethyl)-2H-indazole-3-carboxamide has a molecular weight of 618.02 g/mol, XLogP of 3.28, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(2-methylsulfonylethyl)-2H-indazole-3-carboxamide is sourced from PubChem (CID 155193328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).