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

C16H19N5O3S — CID 129340913

IUPAC3-ethyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
SMILESCCc1noc2ncc(S(=O)(=O)NC[C@H]3CCc4nccn4C3)cc12
InChIInChI=1S/C16H19N5O3S/c1-2-14-13-7-12(9-18-16(13)24-20-14)25(22,23)19-8-11-3-4-15-17-5-6-21(15)10-11/h5-7,9,11,19H,2-4,8,10H2,1H3/t11-/m1/s1
InChIKeyYACCZFCFHNADBT-LLVKDONJSA-N
MW361.43 g/mol
LogP1.52
Rot. Bonds5

About 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

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 (PubChem CID 129340913) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-ethyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
PubChem CID129340913
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC Name3-ethyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
SMILESCCc1noc2ncc(S(=O)(=O)NC[C@H]3CCc4nccn4C3)cc12
InChIInChI=1S/C16H19N5O3S/c1-2-14-13-7-12(9-18-16(13)24-20-14)25(22,23)19-8-11-3-4-15-17-5-6-21(15)10-11/h5-7,9,11,19H,2-4,8,10H2,1H3/t11-/m1/s1
InChIKeyYACCZFCFHNADBT-LLVKDONJSA-N
XLogP1.52
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1noc2ncc(S(=O)(=O)NC[C@H]3CCc4nccn4C3)cc12.
What is the InChIKey of 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?
The InChIKey is YACCZFCFHNADBT-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N5O3S/c1-2-14-13-7-12(9-18-16(13)24-20-14)25(22,23)19-8-11-3-4-15-17-5-6-21(15)10-11/h5-7,9,11,19H,2-4,8,10H2,1H3/t11-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 361.43 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129340913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).