2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-(6-methoxy-3-pyridinyl)indazol-4-yl]benzamide

C24H22ClN5O4S — CID 168968233

IUPAC2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-(6-methoxy-3-pyridinyl)indazol-4-yl]benzamide
SMILESCOc1ccc(-n2ncc3c(NC(=O)c4cc(CNS(=O)(=O)C5CC5)ccc4Cl)cccc32)cn1
InChIInChI=1S/C24H22ClN5O4S/c1-34-23-10-6-16(13-26-23)30-22-4-2-3-21(19(22)14-27-30)29-24(31)18-11-15(5-9-20(18)25)12-28-35(32,33)17-7-8-17/h2-6,9-11,13-14,17,28H,7-8,12H2,1H3,(H,29,31)
InChIKeyFLFNWDNKODQLMT-UHFFFAOYSA-N
MW511.99 g/mol
LogP3.92
Rot. Bonds8

About 2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-(6-methoxy-3-pyridinyl)indazol-4-yl]benzamide

2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-(6-methoxy-3-pyridinyl)indazol-4-yl]benzamide (PubChem CID 168968233) has the molecular formula C24H22ClN5O4S and a molecular weight of 511.99 g/mol. Its IUPAC name is 2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-(6-methoxy-3-pyridinyl)indazol-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-(6-methoxy-3-pyridinyl)indazol-4-yl]benzamide
PubChem CID168968233
Molecular FormulaC24H22ClN5O4S
Molecular Weight511.99 g/mol
Exact Mass511.11
IUPAC Name2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-(6-methoxy-3-pyridinyl)indazol-4-yl]benzamide
SMILESCOc1ccc(-n2ncc3c(NC(=O)c4cc(CNS(=O)(=O)C5CC5)ccc4Cl)cccc32)cn1
InChIInChI=1S/C24H22ClN5O4S/c1-34-23-10-6-16(13-26-23)30-22-4-2-3-21(19(22)14-27-30)29-24(31)18-11-15(5-9-20(18)25)12-28-35(32,33)17-7-8-17/h2-6,9-11,13-14,17,28H,7-8,12H2,1H3,(H,29,31)
InChIKeyFLFNWDNKODQLMT-UHFFFAOYSA-N
XLogP3.92
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.99
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[(cyclopropylsulfonylamino)methyl]benzamide
CID 168968053
2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-[1-(6-methoxy-3-pyridinyl)indazol-4-yl]benzamide
CID 168968273
2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-[1-(6-methyl-3-pyridinyl)indazol-4-yl]benzamide
CID 168968152
2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[[(2-methoxyacetyl)amino]methyl]benzamide
CID 168968066
2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-[1-(3-methoxyphenyl)indazol-4-yl]benzamide
CID 168968275
2-chloro-N-[1-(6-cyano-3-pyridinyl)indazol-4-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide
CID 168968017
2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-[1-(5-methyl-3-pyridinyl)indazol-4-yl]benzamide
CID 168968324
5-[(butanoylamino)methyl]-2-chloro-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide
CID 168968124
2-chloro-5-[[(2-methoxyacetyl)amino]methyl]-N-[1-(1,3-thiazol-2-yl)indazol-4-yl]benzamide
CID 168967991
5-[(but-2-ynoylamino)methyl]-2-chloro-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide
CID 168968091
tert-butyl N-[[4-chloro-3-[[1-[3-(trifluoromethoxy)phenyl]indazol-4-yl]carbamoyl]phenyl]methyl]carbamate
CID 168967980
2-chloro-5-[(cyclopentanecarbonylamino)methyl]-N-[1-[2-methyl-4-(trifluoromethoxy)phenyl]indazol-4-yl]benzamide
CID 168967998

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-(6-methoxy-3-pyridinyl)indazol-4-yl]benzamide?
The IUPAC name of 2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-(6-methoxy-3-pyridinyl)indazol-4-yl]benzamide (CID 168968233) is 2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-(6-methoxy-3-pyridinyl)indazol-4-yl]benzamide.
What is the SMILES notation for 2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-(6-methoxy-3-pyridinyl)indazol-4-yl]benzamide?
The canonical SMILES for 2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-(6-methoxy-3-pyridinyl)indazol-4-yl]benzamide is COc1ccc(-n2ncc3c(NC(=O)c4cc(CNS(=O)(=O)C5CC5)ccc4Cl)cccc32)cn1.
What is the InChIKey of 2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-(6-methoxy-3-pyridinyl)indazol-4-yl]benzamide?
The InChIKey is FLFNWDNKODQLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O4S/c1-34-23-10-6-16(13-26-23)30-22-4-2-3-21(19(22)14-27-30)29-24(31)18-11-15(5-9-20(18)25)12-28-35(32,33)17-7-8-17/h2-6,9-11,13-14,17,28H,7-8,12H2,1H3,(H,29,31).
What are the key properties of 2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-(6-methoxy-3-pyridinyl)indazol-4-yl]benzamide?
2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-(6-methoxy-3-pyridinyl)indazol-4-yl]benzamide has a molecular weight of 511.99 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-(6-methoxy-3-pyridinyl)indazol-4-yl]benzamide is sourced from PubChem (CID 168968233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).