1-hydroxy-2-(4-nitronaphthalen-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one

C17H15N3O4 — CID 91213531

IUPAC1-hydroxy-2-(4-nitronaphthalen-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one
SMILESO=c1n2c(c(O)n1-c1ccc([N+](=O)[O-])c3ccccc13)CCCC2
InChIInChI=1S/C17H15N3O4/c21-16-15-7-3-4-10-18(15)17(22)19(16)13-8-9-14(20(23)24)12-6-2-1-5-11(12)13/h1-2,5-6,8-9,21H,3-4,7,10H2
InChIKeyNKPWYMPRMOESMR-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.74
Rot. Bonds2

About 1-hydroxy-2-(4-nitronaphthalen-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one

1-hydroxy-2-(4-nitronaphthalen-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one (PubChem CID 91213531) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 1-hydroxy-2-(4-nitronaphthalen-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name1-hydroxy-2-(4-nitronaphthalen-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one
PubChem CID91213531
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name1-hydroxy-2-(4-nitronaphthalen-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one
SMILESO=c1n2c(c(O)n1-c1ccc([N+](=O)[O-])c3ccccc13)CCCC2
InChIInChI=1S/C17H15N3O4/c21-16-15-7-3-4-10-18(15)17(22)19(16)13-8-9-14(20(23)24)12-6-2-1-5-11(12)13/h1-2,5-6,8-9,21H,3-4,7,10H2
InChIKeyNKPWYMPRMOESMR-UHFFFAOYSA-N
XLogP2.74
TPSA90.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-nitronaphthalen-1-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 91086298
2-(2-chlorophenyl)-1-hydroxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one
CID 90995265
1-hydroxy-2-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one
CID 91572460
(1R,7S)-4-(4-nitronaphthalen-1-yl)-4-azatricyclo[5.3.2.02,6]dodeca-2,5-diene-3,5-diol
CID 91585667
(1R,7S)-5-hydroxy-4-(4-nitronaphthalen-1-yl)-2,4-diazatricyclo[5.2.1.02,6]deca-5,8-dien-3-one
CID 90796364
5-hydroxy-4-(4-nitronaphthalen-1-yl)-2,4-diazatricyclo[5.2.1.02,6]deca-5,8-dien-3-one
CID 91120285
(1S,7S)-5-hydroxy-4-(4-nitronaphthalen-1-yl)-2,4,8-triazatricyclo[5.2.1.02,6]dec-5-en-3-one
CID 91009555
2-(4-nitronaphthalen-1-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 68542712
(1S,7S)-5-hydroxy-4-(4-nitronaphthalen-1-yl)-3-oxo-2,4,8-triazatricyclo[5.2.1.02,6]dec-5-ene-8-carboxylic acid
CID 90882298
(1R,7R)-8-benzoyl-5-hydroxy-4-(4-nitronaphthalen-1-yl)-2,4,8-triazatricyclo[5.2.1.02,6]dec-5-en-3-one
CID 90895660
(1S,7S)-4-(4-nitronaphthalen-1-yl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 166708410
(1R,2R,6S,7R)-4-(4-nitronaphthalen-1-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23328214

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-(4-nitronaphthalen-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one?
The IUPAC name of 1-hydroxy-2-(4-nitronaphthalen-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one (CID 91213531) is 1-hydroxy-2-(4-nitronaphthalen-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 1-hydroxy-2-(4-nitronaphthalen-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 1-hydroxy-2-(4-nitronaphthalen-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one is O=c1n2c(c(O)n1-c1ccc([N+](=O)[O-])c3ccccc13)CCCC2.
What is the InChIKey of 1-hydroxy-2-(4-nitronaphthalen-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one?
The InChIKey is NKPWYMPRMOESMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c21-16-15-7-3-4-10-18(15)17(22)19(16)13-8-9-14(20(23)24)12-6-2-1-5-11(12)13/h1-2,5-6,8-9,21H,3-4,7,10H2.
What are the key properties of 1-hydroxy-2-(4-nitronaphthalen-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one?
1-hydroxy-2-(4-nitronaphthalen-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one has a molecular weight of 325.32 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-(4-nitronaphthalen-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 91213531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).