3-(1-ethylsulfonylpiperidin-4-yl)-5-pyridin-3-yl-2H-indazole-7-carboxamide

C20H23N5O3S — CID 59022800

IUPAC3-(1-ethylsulfonylpiperidin-4-yl)-5-pyridin-3-yl-2H-indazole-7-carboxamide
SMILESCCS(=O)(=O)N1CCC(c2[nH]nc3c(C(N)=O)cc(-c4cccnc4)cc23)CC1
InChIInChI=1S/C20H23N5O3S/c1-2-29(27,28)25-8-5-13(6-9-25)18-16-10-15(14-4-3-7-22-12-14)11-17(20(21)26)19(16)24-23-18/h3-4,7,10-13H,2,5-6,8-9H2,1H3,(H2,21,26)(H,23,24)
InChIKeyRPIYCGSHOUSVMZ-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.25
Rot. Bonds5

About 3-(1-ethylsulfonylpiperidin-4-yl)-5-pyridin-3-yl-2H-indazole-7-carboxamide

3-(1-ethylsulfonylpiperidin-4-yl)-5-pyridin-3-yl-2H-indazole-7-carboxamide (PubChem CID 59022800) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 3-(1-ethylsulfonylpiperidin-4-yl)-5-pyridin-3-yl-2H-indazole-7-carboxamide.

Molecular Properties

Compound Name3-(1-ethylsulfonylpiperidin-4-yl)-5-pyridin-3-yl-2H-indazole-7-carboxamide
PubChem CID59022800
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name3-(1-ethylsulfonylpiperidin-4-yl)-5-pyridin-3-yl-2H-indazole-7-carboxamide
SMILESCCS(=O)(=O)N1CCC(c2[nH]nc3c(C(N)=O)cc(-c4cccnc4)cc23)CC1
InChIInChI=1S/C20H23N5O3S/c1-2-29(27,28)25-8-5-13(6-9-25)18-16-10-15(14-4-3-7-22-12-14)11-17(20(21)26)19(16)24-23-18/h3-4,7,10-13H,2,5-6,8-9H2,1H3,(H2,21,26)(H,23,24)
InChIKeyRPIYCGSHOUSVMZ-UHFFFAOYSA-N
XLogP2.25
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylsulfonylpiperidin-4-yl)-5-pyridin-3-yl-2H-indazole-7-carboxamide?
The IUPAC name of 3-(1-ethylsulfonylpiperidin-4-yl)-5-pyridin-3-yl-2H-indazole-7-carboxamide (CID 59022800) is 3-(1-ethylsulfonylpiperidin-4-yl)-5-pyridin-3-yl-2H-indazole-7-carboxamide.
What is the SMILES notation for 3-(1-ethylsulfonylpiperidin-4-yl)-5-pyridin-3-yl-2H-indazole-7-carboxamide?
The canonical SMILES for 3-(1-ethylsulfonylpiperidin-4-yl)-5-pyridin-3-yl-2H-indazole-7-carboxamide is CCS(=O)(=O)N1CCC(c2[nH]nc3c(C(N)=O)cc(-c4cccnc4)cc23)CC1.
What is the InChIKey of 3-(1-ethylsulfonylpiperidin-4-yl)-5-pyridin-3-yl-2H-indazole-7-carboxamide?
The InChIKey is RPIYCGSHOUSVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-2-29(27,28)25-8-5-13(6-9-25)18-16-10-15(14-4-3-7-22-12-14)11-17(20(21)26)19(16)24-23-18/h3-4,7,10-13H,2,5-6,8-9H2,1H3,(H2,21,26)(H,23,24).
What are the key properties of 3-(1-ethylsulfonylpiperidin-4-yl)-5-pyridin-3-yl-2H-indazole-7-carboxamide?
3-(1-ethylsulfonylpiperidin-4-yl)-5-pyridin-3-yl-2H-indazole-7-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylsulfonylpiperidin-4-yl)-5-pyridin-3-yl-2H-indazole-7-carboxamide is sourced from PubChem (CID 59022800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).