(1R,9S)-4-imidazo[1,2-a]pyridin-7-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

C18H18N4O — CID 166613133

IUPAC(1R,9S)-4-imidazo[1,2-a]pyridin-7-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
SMILESO=c1cc(-c2ccn3ccnc3c2)cc2n1C[C@@H]1CNC[C@H]2C1
InChIInChI=1S/C18H18N4O/c23-18-8-14(13-1-3-21-4-2-20-17(21)7-13)6-16-15-5-12(9-19-10-15)11-22(16)18/h1-4,6-8,12,15,19H,5,9-11H2/t12-,15+/m0/s1
InChIKeySMKYMCSSULGGMV-SWLSCSKDSA-N
MW306.37 g/mol
LogP1.87
Rot. Bonds1

About (1R,9S)-4-imidazo[1,2-a]pyridin-7-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

(1R,9S)-4-imidazo[1,2-a]pyridin-7-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (PubChem CID 166613133) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is (1R,9S)-4-imidazo[1,2-a]pyridin-7-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

Molecular Properties

Compound Name(1R,9S)-4-imidazo[1,2-a]pyridin-7-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
PubChem CID166613133
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name(1R,9S)-4-imidazo[1,2-a]pyridin-7-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
SMILESO=c1cc(-c2ccn3ccnc3c2)cc2n1C[C@@H]1CNC[C@H]2C1
InChIInChI=1S/C18H18N4O/c23-18-8-14(13-1-3-21-4-2-20-17(21)7-13)6-16-15-5-12(9-19-10-15)11-22(16)18/h1-4,6-8,12,15,19H,5,9-11H2/t12-,15+/m0/s1
InChIKeySMKYMCSSULGGMV-SWLSCSKDSA-N
XLogP1.87
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,9S)-4-imidazo[1,2-a]pyridin-7-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The IUPAC name of (1R,9S)-4-imidazo[1,2-a]pyridin-7-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CID 166613133) is (1R,9S)-4-imidazo[1,2-a]pyridin-7-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
What is the SMILES notation for (1R,9S)-4-imidazo[1,2-a]pyridin-7-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The canonical SMILES for (1R,9S)-4-imidazo[1,2-a]pyridin-7-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is O=c1cc(-c2ccn3ccnc3c2)cc2n1C[C@@H]1CNC[C@H]2C1.
What is the InChIKey of (1R,9S)-4-imidazo[1,2-a]pyridin-7-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The InChIKey is SMKYMCSSULGGMV-SWLSCSKDSA-N. The full InChI is InChI=1S/C18H18N4O/c23-18-8-14(13-1-3-21-4-2-20-17(21)7-13)6-16-15-5-12(9-19-10-15)11-22(16)18/h1-4,6-8,12,15,19H,5,9-11H2/t12-,15+/m0/s1.
What are the key properties of (1R,9S)-4-imidazo[1,2-a]pyridin-7-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
(1R,9S)-4-imidazo[1,2-a]pyridin-7-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one has a molecular weight of 306.37 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9S)-4-imidazo[1,2-a]pyridin-7-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is sourced from PubChem (CID 166613133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).