3-ethyl-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide

C15H18N6O3S — CID 129398858

IUPAC3-ethyl-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
SMILESCCc1noc2ncc(S(=O)(=O)N[C@H]3CCCn4nc(C)nc43)cc12
InChIInChI=1S/C15H18N6O3S/c1-3-12-11-7-10(8-16-15(11)24-19-12)25(22,23)20-13-5-4-6-21-14(13)17-9(2)18-21/h7-8,13,20H,3-6H2,1-2H3/t13-/m0/s1
InChIKeyHZZSARPJAGILMN-ZDUSSCGKSA-N
MW362.42 g/mol
LogP1.50
Rot. Bonds4

About 3-ethyl-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide

3-ethyl-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide (PubChem CID 129398858) has the molecular formula C15H18N6O3S and a molecular weight of 362.42 g/mol. Its IUPAC name is 3-ethyl-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide.

Molecular Properties

Compound Name3-ethyl-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
PubChem CID129398858
Molecular FormulaC15H18N6O3S
Molecular Weight362.42 g/mol
Exact Mass362.12
IUPAC Name3-ethyl-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
SMILESCCc1noc2ncc(S(=O)(=O)N[C@H]3CCCn4nc(C)nc43)cc12
InChIInChI=1S/C15H18N6O3S/c1-3-12-11-7-10(8-16-15(11)24-19-12)25(22,23)20-13-5-4-6-21-14(13)17-9(2)18-21/h7-8,13,20H,3-6H2,1-2H3/t13-/m0/s1
InChIKeyHZZSARPJAGILMN-ZDUSSCGKSA-N
XLogP1.50
TPSA115.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-ethyl-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide with MolForge

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Related Compounds

3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 154736367
1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-N-methylpiperidin-4-amine
CID 120875109
3-ethyl-N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 129331407
1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine
CID 120877024
[1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride
CID 120874752
N-(2-aminoethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 120874415
3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl fluoride
CID 165460191
N-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 129471125
3-ethyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 129340913
1-(1,2-benzoxazol-3-yl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide
CID 128995165
N-(2-amino-2-ethylbutyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 120875459
3-ethyl-N-(6-oxo-1H-pyridazin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 119051525

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The IUPAC name of 3-ethyl-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide (CID 129398858) is 3-ethyl-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide.
What is the SMILES notation for 3-ethyl-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The canonical SMILES for 3-ethyl-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide is CCc1noc2ncc(S(=O)(=O)N[C@H]3CCCn4nc(C)nc43)cc12.
What is the InChIKey of 3-ethyl-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The InChIKey is HZZSARPJAGILMN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N6O3S/c1-3-12-11-7-10(8-16-15(11)24-19-12)25(22,23)20-13-5-4-6-21-14(13)17-9(2)18-21/h7-8,13,20H,3-6H2,1-2H3/t13-/m0/s1.
What are the key properties of 3-ethyl-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
3-ethyl-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide has a molecular weight of 362.42 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 129398858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).