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

C18H19FN4O3S — CID 121389378

IUPACN-[8-(3-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1COCc2c(-c3ccc4c(F)nn(C)c4c3)cncc21
InChIInChI=1S/C18H19FN4O3S/c1-3-27(24,25)22-16-10-26-9-15-13(7-20-8-14(15)16)11-4-5-12-17(6-11)23(2)21-18(12)19/h4-8,16,22H,3,9-10H2,1-2H3
InChIKeyJQKCDCVDRSYYCN-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.29
Rot. Bonds4

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

N-[8-(3-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide (PubChem CID 121389378) has the molecular formula C18H19FN4O3S and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[8-(3-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[8-(3-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide
PubChem CID121389378
Molecular FormulaC18H19FN4O3S
Molecular Weight390.44 g/mol
Exact Mass390.12
IUPAC NameN-[8-(3-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1COCc2c(-c3ccc4c(F)nn(C)c4c3)cncc21
InChIInChI=1S/C18H19FN4O3S/c1-3-27(24,25)22-16-10-26-9-15-13(7-20-8-14(15)16)11-4-5-12-17(6-11)23(2)21-18(12)19/h4-8,16,22H,3,9-10H2,1-2H3
InChIKeyJQKCDCVDRSYYCN-UHFFFAOYSA-N
XLogP2.29
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[8-(3-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide?
The IUPAC name of N-[8-(3-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide (CID 121389378) is N-[8-(3-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[8-(3-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[8-(3-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1COCc2c(-c3ccc4c(F)nn(C)c4c3)cncc21.
What is the InChIKey of N-[8-(3-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide?
The InChIKey is JQKCDCVDRSYYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3S/c1-3-27(24,25)22-16-10-26-9-15-13(7-20-8-14(15)16)11-4-5-12-17(6-11)23(2)21-18(12)19/h4-8,16,22H,3,9-10H2,1-2H3.
What are the key properties of N-[8-(3-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide?
N-[8-(3-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide has a molecular weight of 390.44 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(3-fluoro-1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide is sourced from PubChem (CID 121389378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).