2-(4-chlorophenyl)-5-cyclopropyl-6-[2-(3-hydroxyazetidin-1-yl)ethyl-methylsulfonylamino]-N-methylindazole-3-carboxamide

C24H28ClN5O4S — CID 71768584

IUPAC2-(4-chlorophenyl)-5-cyclopropyl-6-[2-(3-hydroxyazetidin-1-yl)ethyl-methylsulfonylamino]-N-methylindazole-3-carboxamide
SMILESCNC(=O)c1c2cc(C3CC3)c(N(CCN3CC(O)C3)S(C)(=O)=O)cc2nn1-c1ccc(Cl)cc1
InChIInChI=1S/C24H28ClN5O4S/c1-26-24(32)23-20-11-19(15-3-4-15)22(29(35(2,33)34)10-9-28-13-18(31)14-28)12-21(20)27-30(23)17-7-5-16(25)6-8-17/h5-8,11-12,15,18,31H,3-4,9-10,13-14H2,1-2H3,(H,26,32)
InChIKeyMJHMWIMTBOTJGI-UHFFFAOYSA-N
MW518.04 g/mol
LogP2.36
Rot. Bonds8

About 2-(4-chlorophenyl)-5-cyclopropyl-6-[2-(3-hydroxyazetidin-1-yl)ethyl-methylsulfonylamino]-N-methylindazole-3-carboxamide

2-(4-chlorophenyl)-5-cyclopropyl-6-[2-(3-hydroxyazetidin-1-yl)ethyl-methylsulfonylamino]-N-methylindazole-3-carboxamide (PubChem CID 71768584) has the molecular formula C24H28ClN5O4S and a molecular weight of 518.04 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-cyclopropyl-6-[2-(3-hydroxyazetidin-1-yl)ethyl-methylsulfonylamino]-N-methylindazole-3-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-cyclopropyl-6-[2-(3-hydroxyazetidin-1-yl)ethyl-methylsulfonylamino]-N-methylindazole-3-carboxamide
PubChem CID71768584
Molecular FormulaC24H28ClN5O4S
Molecular Weight518.04 g/mol
Exact Mass517.16
IUPAC Name2-(4-chlorophenyl)-5-cyclopropyl-6-[2-(3-hydroxyazetidin-1-yl)ethyl-methylsulfonylamino]-N-methylindazole-3-carboxamide
SMILESCNC(=O)c1c2cc(C3CC3)c(N(CCN3CC(O)C3)S(C)(=O)=O)cc2nn1-c1ccc(Cl)cc1
InChIInChI=1S/C24H28ClN5O4S/c1-26-24(32)23-20-11-19(15-3-4-15)22(29(35(2,33)34)10-9-28-13-18(31)14-28)12-21(20)27-30(23)17-7-5-16(25)6-8-17/h5-8,11-12,15,18,31H,3-4,9-10,13-14H2,1-2H3,(H,26,32)
InChIKeyMJHMWIMTBOTJGI-UHFFFAOYSA-N
XLogP2.36
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.04
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[2-bromoethyl(methylsulfonyl)amino]-2-(4-chlorophenyl)-5-cyclopropyl-N-methylindazole-3-carboxamide
CID 86699003
tert-butyl 3-[2-[[2-(4-chlorophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]ethyl]azetidine-1-carboxylate
CID 71768611
2-(5-chloro-2-pyridinyl)-5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide
CID 71760906
5-cyclopropyl-2-[4-(3-hydroxyanilino)phenyl]-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide
CID 67512363
6-[3-(cyclopropanecarbonylamino)propyl-methylsulfonylamino]-5-cyclopropyl-N-methyl-2-(4-methylphenyl)indazole-3-carboxamide
CID 69252324
5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-2-[4-(4-fluoroanilino)phenyl]-N-methylindazole-3-carboxamide
CID 56962929
2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]indazole-3-carboxamide
CID 56962453
2-(4-bromophenyl)-5-cyclopropyl-6-[3-(3-methoxypropanoylamino)propyl-methylsulfonylamino]-N-methylindazole-3-carboxamide
CID 69250184
2-(4-bromophenyl)-5-cyclopropyl-6-[ethyl(trifluoromethylsulfonyl)amino]-N-methylindazole-3-carboxamide
CID 56962854
tert-butyl N-[3-[3-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]propylamino]-3-oxopropyl]carbamate
CID 67962379
1-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]propan-2-ylcarbamoyl cyclopentanecarboxylate
CID 87428229
5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methyl-2-(5-methyl-2-pyridinyl)indazole-3-carboxamide
CID 71766662

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-cyclopropyl-6-[2-(3-hydroxyazetidin-1-yl)ethyl-methylsulfonylamino]-N-methylindazole-3-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-5-cyclopropyl-6-[2-(3-hydroxyazetidin-1-yl)ethyl-methylsulfonylamino]-N-methylindazole-3-carboxamide (CID 71768584) is 2-(4-chlorophenyl)-5-cyclopropyl-6-[2-(3-hydroxyazetidin-1-yl)ethyl-methylsulfonylamino]-N-methylindazole-3-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-5-cyclopropyl-6-[2-(3-hydroxyazetidin-1-yl)ethyl-methylsulfonylamino]-N-methylindazole-3-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-5-cyclopropyl-6-[2-(3-hydroxyazetidin-1-yl)ethyl-methylsulfonylamino]-N-methylindazole-3-carboxamide is CNC(=O)c1c2cc(C3CC3)c(N(CCN3CC(O)C3)S(C)(=O)=O)cc2nn1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-cyclopropyl-6-[2-(3-hydroxyazetidin-1-yl)ethyl-methylsulfonylamino]-N-methylindazole-3-carboxamide?
The InChIKey is MJHMWIMTBOTJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O4S/c1-26-24(32)23-20-11-19(15-3-4-15)22(29(35(2,33)34)10-9-28-13-18(31)14-28)12-21(20)27-30(23)17-7-5-16(25)6-8-17/h5-8,11-12,15,18,31H,3-4,9-10,13-14H2,1-2H3,(H,26,32).
What are the key properties of 2-(4-chlorophenyl)-5-cyclopropyl-6-[2-(3-hydroxyazetidin-1-yl)ethyl-methylsulfonylamino]-N-methylindazole-3-carboxamide?
2-(4-chlorophenyl)-5-cyclopropyl-6-[2-(3-hydroxyazetidin-1-yl)ethyl-methylsulfonylamino]-N-methylindazole-3-carboxamide has a molecular weight of 518.04 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-cyclopropyl-6-[2-(3-hydroxyazetidin-1-yl)ethyl-methylsulfonylamino]-N-methylindazole-3-carboxamide is sourced from PubChem (CID 71768584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).