N-[8-(3-methyl-2H-indazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide

C18H20N4O3S — CID 121389377

IUPACN-[8-(3-methyl-2H-indazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1COCc2c(-c3ccc4c(C)[nH]nc4c3)cncc21
InChIInChI=1S/C18H20N4O3S/c1-3-26(23,24)22-18-10-25-9-16-14(7-19-8-15(16)18)12-4-5-13-11(2)20-21-17(13)6-12/h4-8,18,22H,3,9-10H2,1-2H3,(H,20,21)
InChIKeyJANLEWBVPJQJAH-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.44
Rot. Bonds4

About N-[8-(3-methyl-2H-indazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide

N-[8-(3-methyl-2H-indazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide (PubChem CID 121389377) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[8-(3-methyl-2H-indazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[8-(3-methyl-2H-indazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide
PubChem CID121389377
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[8-(3-methyl-2H-indazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1COCc2c(-c3ccc4c(C)[nH]nc4c3)cncc21
InChIInChI=1S/C18H20N4O3S/c1-3-26(23,24)22-18-10-25-9-16-14(7-19-8-15(16)18)12-4-5-13-11(2)20-21-17(13)6-12/h4-8,18,22H,3,9-10H2,1-2H3,(H,20,21)
InChIKeyJANLEWBVPJQJAH-UHFFFAOYSA-N
XLogP2.44
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[8-(3-methyl-2H-indazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[8-(3-methyl-2H-indazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide?
The IUPAC name of N-[8-(3-methyl-2H-indazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide (CID 121389377) is N-[8-(3-methyl-2H-indazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[8-(3-methyl-2H-indazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[8-(3-methyl-2H-indazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1COCc2c(-c3ccc4c(C)[nH]nc4c3)cncc21.
What is the InChIKey of N-[8-(3-methyl-2H-indazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide?
The InChIKey is JANLEWBVPJQJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-3-26(23,24)22-18-10-25-9-16-14(7-19-8-15(16)18)12-4-5-13-11(2)20-21-17(13)6-12/h4-8,18,22H,3,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-[8-(3-methyl-2H-indazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide?
N-[8-(3-methyl-2H-indazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(3-methyl-2H-indazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide is sourced from PubChem (CID 121389377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).