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

C18H20N4O3S — CID 121389356

IUPACN-[8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1COCc2c(-c3ccc4cnn(C)c4c3)cncc21
InChIInChI=1S/C18H20N4O3S/c1-3-26(23,24)21-17-11-25-10-16-14(8-19-9-15(16)17)12-4-5-13-7-20-22(2)18(13)6-12/h4-9,17,21H,3,10-11H2,1-2H3
InChIKeyIRADGGNMZYRRIO-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.15
Rot. Bonds4

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

N-[8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide (PubChem CID 121389356) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide
PubChem CID121389356
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1COCc2c(-c3ccc4cnn(C)c4c3)cncc21
InChIInChI=1S/C18H20N4O3S/c1-3-26(23,24)21-17-11-25-10-16-14(8-19-9-15(16)17)12-4-5-13-7-20-22(2)18(13)6-12/h4-9,17,21H,3,10-11H2,1-2H3
InChIKeyIRADGGNMZYRRIO-UHFFFAOYSA-N
XLogP2.15
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[8-(1-methylindazol-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-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide?
The IUPAC name of N-[8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide (CID 121389356) is N-[8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1COCc2c(-c3ccc4cnn(C)c4c3)cncc21.
What is the InChIKey of N-[8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide?
The InChIKey is IRADGGNMZYRRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-3-26(23,24)21-17-11-25-10-16-14(8-19-9-15(16)17)12-4-5-13-7-20-22(2)18(13)6-12/h4-9,17,21H,3,10-11H2,1-2H3.
What are the key properties of N-[8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide?
N-[8-(1-methylindazol-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 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide is sourced from PubChem (CID 121389356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).