(4aS,8aR)-6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

C20H26N4O2 — CID 56914609

IUPAC(4aS,8aR)-6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESCCCN1C(=O)CC[C@H]2CN(C(=O)Cc3cnc4ccccn34)CC[C@H]21
InChIInChI=1S/C20H26N4O2/c1-2-9-24-17-8-11-22(14-15(17)6-7-19(24)25)20(26)12-16-13-21-18-5-3-4-10-23(16)18/h3-5,10,13,15,17H,2,6-9,11-12,14H2,1H3/t15-,17+/m0/s1
InChIKeyJVZJTYDKQQHJIO-DOTOQJQBSA-N
MW354.45 g/mol
LogP2.13
Rot. Bonds4

About (4aS,8aR)-6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

(4aS,8aR)-6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (PubChem CID 56914609) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (4aS,8aR)-6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name(4aS,8aR)-6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
PubChem CID56914609
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(4aS,8aR)-6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESCCCN1C(=O)CC[C@H]2CN(C(=O)Cc3cnc4ccccn34)CC[C@H]21
InChIInChI=1S/C20H26N4O2/c1-2-9-24-17-8-11-22(14-15(17)6-7-19(24)25)20(26)12-16-13-21-18-5-3-4-10-23(16)18/h3-5,10,13,15,17H,2,6-9,11-12,14H2,1H3/t15-,17+/m0/s1
InChIKeyJVZJTYDKQQHJIO-DOTOQJQBSA-N
XLogP2.13
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4aS,8aR)-6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one with MolForge

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Related Compounds

1-[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-imidazo[1,2-a]pyridin-3-ylethanone
CID 56870795
(4aS,8aR)-1-(3-methylbutyl)-6-(2-pyrimidin-2-ylacetyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56882598
3-[(4aR,8aS)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 45190083
(4aS,8aR)-6-[3-(4-chloropyrazol-1-yl)propanoyl]-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56886740
(4aS,8aR)-6-(6-oxo-1H-pyridazine-3-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56886692
(4aR,8aS)-6-[2-(2-fluorophenyl)acetyl]-1-(2-pyridin-2-ylethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 133118241
(4aR,8aS)-6-[2-(2-hydroxy-4-oxoimidazolidin-1-yl)acetyl]-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 139474219
(4aS,8aR)-6-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56894990
(4aS,8aR)-1-(2-aminoethyl)-6-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one;hydrochloride
CID 154894721
(4aS,8aR)-1-[2-(methylamino)ethyl]-6-(3-pyridin-2-ylpropanoyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56901675
(4aR,8aS)-6-(2-methyl-1H-benzimidazole-4-carbonyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 164630375
(4aS,8aR)-1-[2-(methylamino)ethyl]-6-[2-(3-methylsulfanylphenyl)acetyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 70760387

Frequently Asked Questions

What is the IUPAC name of (4aS,8aR)-6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The IUPAC name of (4aS,8aR)-6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (CID 56914609) is (4aS,8aR)-6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.
What is the SMILES notation for (4aS,8aR)-6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The canonical SMILES for (4aS,8aR)-6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is CCCN1C(=O)CC[C@H]2CN(C(=O)Cc3cnc4ccccn34)CC[C@H]21.
What is the InChIKey of (4aS,8aR)-6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The InChIKey is JVZJTYDKQQHJIO-DOTOQJQBSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-2-9-24-17-8-11-22(14-15(17)6-7-19(24)25)20(26)12-16-13-21-18-5-3-4-10-23(16)18/h3-5,10,13,15,17H,2,6-9,11-12,14H2,1H3/t15-,17+/m0/s1.
What are the key properties of (4aS,8aR)-6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
(4aS,8aR)-6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one has a molecular weight of 354.45 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aR)-6-(2-imidazo[1,2-a]pyridin-3-ylacetyl)-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is sourced from PubChem (CID 56914609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).