(1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

C19H24N4O3 — CID 56753198

IUPAC(1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
SMILESCC(C)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)Nc2cnc4n2CCCC4)[C@@H]3C1=O
InChIInChI=1S/C19H24N4O3/c1-11(2)23-10-19-7-6-12(26-19)15(16(19)18(23)25)17(24)21-14-9-20-13-5-3-4-8-22(13)14/h6-7,9,11-12,15-16H,3-5,8,10H2,1-2H3,(H,21,24)/t12-,15-,16+,19-/m0/s1
InChIKeyIQWMGBIWMVUARW-XJTZBENFSA-N
MW356.43 g/mol
LogP1.35
Rot. Bonds3

About (1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

(1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (PubChem CID 56753198) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

Molecular Properties

Compound Name(1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
PubChem CID56753198
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
SMILESCC(C)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)Nc2cnc4n2CCCC4)[C@@H]3C1=O
InChIInChI=1S/C19H24N4O3/c1-11(2)23-10-19-7-6-12(26-19)15(16(19)18(23)25)17(24)21-14-9-20-13-5-3-4-8-22(13)14/h6-7,9,11-12,15-16H,3-5,8,10H2,1-2H3,(H,21,24)/t12-,15-,16+,19-/m0/s1
InChIKeyIQWMGBIWMVUARW-XJTZBENFSA-N
XLogP1.35
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide with MolForge

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Related Compounds

(1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 131892692
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)oxolane-3-carboxamide
CID 56753990
(1S,5R,6R,7S)-6-(2-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl)-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-4-one
CID 136828972
(1S,5S,6R,7R)-3-[(2R)-butan-2-yl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
CID 7088157
(1R,5S,6R,7S)-4-oxo-3-[(1S)-1-pyridin-3-ylethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
CID 99941001
(1S,7R)-6-(4-methyl-1,4-diazepane-1-carbonyl)-3-pentan-3-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-4-one
CID 133123747
methyl (1S,5S,6R,7R)-4-oxo-3-[(1S)-1-phenylethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
CID 7083172
(1R,5S,6S,7S)-3-[(2S)-6-methylhept-5-en-2-yl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
CID 11859334
(1S,5S,6S,7S)-3-[(2R)-6-methylhept-5-en-2-yl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
CID 18390635
(1S,5R,6R,7S)-4-oxo-3-[(1R)-1-phenylethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
CID 23375247
(1S,5S,6R,7R)-4-oxo-3-[(1R)-1-phenylethyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
CID 7083125
(1R,7S)-3-pentan-3-yl-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-4-one
CID 70724984

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?
The IUPAC name of (1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (CID 56753198) is (1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.
What is the SMILES notation for (1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?
The canonical SMILES for (1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is CC(C)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)Nc2cnc4n2CCCC4)[C@@H]3C1=O.
What is the InChIKey of (1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?
The InChIKey is IQWMGBIWMVUARW-XJTZBENFSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-11(2)23-10-19-7-6-12(26-19)15(16(19)18(23)25)17(24)21-14-9-20-13-5-3-4-8-22(13)14/h6-7,9,11-12,15-16H,3-5,8,10H2,1-2H3,(H,21,24)/t12-,15-,16+,19-/m0/s1.
What are the key properties of (1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?
(1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6R,7S)-4-oxo-3-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is sourced from PubChem (CID 56753198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).