5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone

C19H20N4O — CID 127675377

IUPAC5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
SMILESO=C(C1CCn2cncc2C1)N1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C19H20N4O/c24-19(13-5-7-23-12-20-10-14(23)9-13)22-8-6-16-15-3-1-2-4-17(15)21-18(16)11-22/h1-4,10,12-13,21H,5-9,11H2
InChIKeyHJPRSUADJXCGGA-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.51
Rot. Bonds1

About 5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone

5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone (PubChem CID 127675377) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone.

Molecular Properties

Compound Name5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
PubChem CID127675377
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
SMILESO=C(C1CCn2cncc2C1)N1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C19H20N4O/c24-19(13-5-7-23-12-20-10-14(23)9-13)22-8-6-16-15-3-1-2-4-17(15)21-18(16)11-22/h1-4,10,12-13,21H,5-9,11H2
InChIKeyHJPRSUADJXCGGA-UHFFFAOYSA-N
XLogP2.51
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl(6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-9-yl)methanone
CID 74236163
pyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
CID 113203529
tert-butyl N-methyl-N-[[4-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)cyclohexyl]methyl]carbamate;methylperoxymethane
CID 142611114
(4-methylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone
CID 110476632
2-piperidin-1-yl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
CID 166309093
4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 70766706
morpholin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 110874353
1H-benzimidazol-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 141151589
[(4R)-2,2-dimethyloxan-4-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 7094073
1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl(thiophen-2-yl)methanone
CID 44771350
sodium 2-(2-sulfonatosulfanylacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 23706000
(3,4-dichlorophenyl)-[1-[(7R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl]piperidin-4-yl]methanone
CID 97239174

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone?
The IUPAC name of 5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone (CID 127675377) is 5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone.
What is the SMILES notation for 5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone?
The canonical SMILES for 5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone is O=C(C1CCn2cncc2C1)N1CCc2c([nH]c3ccccc23)C1.
What is the InChIKey of 5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone?
The InChIKey is HJPRSUADJXCGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c24-19(13-5-7-23-12-20-10-14(23)9-13)22-8-6-16-15-3-1-2-4-17(15)21-18(16)11-22/h1-4,10,12-13,21H,5-9,11H2.
What are the key properties of 5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone?
5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone has a molecular weight of 320.40 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone is sourced from PubChem (CID 127675377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).