4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-4-azaspiro[2.3]hexan-6-ol

C21H22N4O — CID 146270792

IUPAC4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-4-azaspiro[2.3]hexan-6-ol
SMILESOC1CN(c2ccc(N3CCc4c([nH]c5ccccc45)C3)cn2)C12CC2
InChIInChI=1S/C21H22N4O/c26-19-13-25(21(19)8-9-21)20-6-5-14(11-22-20)24-10-7-16-15-3-1-2-4-17(15)23-18(16)12-24/h1-6,11,19,23,26H,7-10,12-13H2
InChIKeyYEYUMUXMLHIXLW-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.84
Rot. Bonds2

About 4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-4-azaspiro[2.3]hexan-6-ol

4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-4-azaspiro[2.3]hexan-6-ol (PubChem CID 146270792) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-4-azaspiro[2.3]hexan-6-ol.

Molecular Properties

Compound Name4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-4-azaspiro[2.3]hexan-6-ol
PubChem CID146270792
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-4-azaspiro[2.3]hexan-6-ol
SMILESOC1CN(c2ccc(N3CCc4c([nH]c5ccccc45)C3)cn2)C12CC2
InChIInChI=1S/C21H22N4O/c26-19-13-25(21(19)8-9-21)20-6-5-14(11-22-20)24-10-7-16-15-3-1-2-4-17(15)23-18(16)12-24/h1-6,11,19,23,26H,7-10,12-13H2
InChIKeyYEYUMUXMLHIXLW-UHFFFAOYSA-N
XLogP2.84
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-2-oxa-5-azabicyclo[2.2.0]hexane
CID 170106175
2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 146270743
4-[6-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine
CID 146270747
7-fluoro-2-(5-piperidin-1-yl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 169026161
2-(5-pyridin-2-ylpyrimidin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141492986
1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine
CID 118402613
(8S)-6-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene
CID 129386314
4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine
CID 139309113
2-[6-(azetidin-1-yl)-5-nitropyrimidin-4-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 3854937
4-(3-aminocyclobutyl)-6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)pyrimidin-2-amine;dihydrochloride
CID 154903375
2-[[2-amino-6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)pyrimidin-4-yl]amino]ethanol
CID 50966599
N,N-dimethyl-1-phenyl-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)cyclohexan-1-amine
CID 10292753

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-4-azaspiro[2.3]hexan-6-ol?
The IUPAC name of 4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-4-azaspiro[2.3]hexan-6-ol (CID 146270792) is 4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-4-azaspiro[2.3]hexan-6-ol.
What is the SMILES notation for 4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-4-azaspiro[2.3]hexan-6-ol?
The canonical SMILES for 4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-4-azaspiro[2.3]hexan-6-ol is OC1CN(c2ccc(N3CCc4c([nH]c5ccccc45)C3)cn2)C12CC2.
What is the InChIKey of 4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-4-azaspiro[2.3]hexan-6-ol?
The InChIKey is YEYUMUXMLHIXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-19-13-25(21(19)8-9-21)20-6-5-14(11-22-20)24-10-7-16-15-3-1-2-4-17(15)23-18(16)12-24/h1-6,11,19,23,26H,7-10,12-13H2.
What are the key properties of 4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-4-azaspiro[2.3]hexan-6-ol?
4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-4-azaspiro[2.3]hexan-6-ol has a molecular weight of 346.43 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-4-azaspiro[2.3]hexan-6-ol is sourced from PubChem (CID 146270792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).