(9S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide

C16H19N7O — CID 125160032

IUPAC(9S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
SMILESO=C(NCCc1cn2ccccc2n1)[C@H]1CCCCn2nnnc21
InChIInChI=1S/C16H19N7O/c24-16(13-5-1-4-10-23-15(13)19-20-21-23)17-8-7-12-11-22-9-3-2-6-14(22)18-12/h2-3,6,9,11,13H,1,4-5,7-8,10H2,(H,17,24)/t13-/m0/s1
InChIKeyFLTRILOTGIITFY-ZDUSSCGKSA-N
MW325.38 g/mol
LogP0.95
Rot. Bonds4

About (9S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide

(9S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide (PubChem CID 125160032) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is (9S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide.

Molecular Properties

Compound Name(9S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
PubChem CID125160032
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name(9S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
SMILESO=C(NCCc1cn2ccccc2n1)[C@H]1CCCCn2nnnc21
InChIInChI=1S/C16H19N7O/c24-16(13-5-1-4-10-23-15(13)19-20-21-23)17-8-7-12-11-22-9-3-2-6-14(22)18-12/h2-3,6,9,11,13H,1,4-5,7-8,10H2,(H,17,24)/t13-/m0/s1
InChIKeyFLTRILOTGIITFY-ZDUSSCGKSA-N
XLogP0.95
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (9S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide with MolForge

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Related Compounds

(9R)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125159636
(3S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 25279424
trans-methyl (1S,2S)-2-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylate
CID 97340572
N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 31008557
(3S)-4-(cyclobutylmethyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)morpholine-3-carboxamide
CID 124619070
4-(hydroxymethyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)piperidine-1-carboxamide
CID 110895574
5-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)-1-methylpiperidine-2-carboxylic acid
CID 167894308
N-[4-(3-methylphenyl)butyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 155607933
formic acid;N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,1-dioxothiolane-3-carboxamide
CID 154904325
(9R)-N-[(2-pyrazol-1-ylphenyl)methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125168088
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122567936
(2R)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125444630

Frequently Asked Questions

What is the IUPAC name of (9S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide?
The IUPAC name of (9S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide (CID 125160032) is (9S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide.
What is the SMILES notation for (9S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide?
The canonical SMILES for (9S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide is O=C(NCCc1cn2ccccc2n1)[C@H]1CCCCn2nnnc21.
What is the InChIKey of (9S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide?
The InChIKey is FLTRILOTGIITFY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N7O/c24-16(13-5-1-4-10-23-15(13)19-20-21-23)17-8-7-12-11-22-9-3-2-6-14(22)18-12/h2-3,6,9,11,13H,1,4-5,7-8,10H2,(H,17,24)/t13-/m0/s1.
What are the key properties of (9S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide?
(9S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide has a molecular weight of 325.38 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide is sourced from PubChem (CID 125160032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).