2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone

C15H22N4O — CID 82752465

IUPAC2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
SMILESO=C(C1Cc2nc[nH]c2CN1)N1CCC2CCCCC21
InChIInChI=1S/C15H22N4O/c20-15(12-7-11-13(8-16-12)18-9-17-11)19-6-5-10-3-1-2-4-14(10)19/h9-10,12,14,16H,1-8H2,(H,17,18)
InChIKeyGBDDQNJEKURUSH-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.22
Rot. Bonds1

About 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone

2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone (PubChem CID 82752465) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
PubChem CID82752465
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
SMILESO=C(C1Cc2nc[nH]c2CN1)N1CCC2CCCCC21
InChIInChI=1S/C15H22N4O/c20-15(12-7-11-13(8-16-12)18-9-17-11)19-6-5-10-3-1-2-4-14(10)19/h9-10,12,14,16H,1-8H2,(H,17,18)
InChIKeyGBDDQNJEKURUSH-UHFFFAOYSA-N
XLogP1.22
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone (CID 82752465) is 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone is O=C(C1Cc2nc[nH]c2CN1)N1CCC2CCCCC21.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?
The InChIKey is GBDDQNJEKURUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c20-15(12-7-11-13(8-16-12)18-9-17-11)19-6-5-10-3-1-2-4-14(10)19/h9-10,12,14,16H,1-8H2,(H,17,18).
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone has a molecular weight of 274.37 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone is sourced from PubChem (CID 82752465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).