2-(5-pyridin-2-ylpyrimidin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole

C20H17N5 — CID 141492986

IUPAC2-(5-pyridin-2-ylpyrimidin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESc1ccc(-c2cnc(N3CCc4c([nH]c5ccccc45)C3)nc2)nc1
InChIInChI=1S/C20H17N5/c1-2-7-18-15(5-1)16-8-10-25(13-19(16)24-18)20-22-11-14(12-23-20)17-6-3-4-9-21-17/h1-7,9,11-12,24H,8,10,13H2
InChIKeyUFPIJHRCCZQQNC-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.58
Rot. Bonds2

About 2-(5-pyridin-2-ylpyrimidin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole

2-(5-pyridin-2-ylpyrimidin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 141492986) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-(5-pyridin-2-ylpyrimidin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name2-(5-pyridin-2-ylpyrimidin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID141492986
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC Name2-(5-pyridin-2-ylpyrimidin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESc1ccc(-c2cnc(N3CCc4c([nH]c5ccccc45)C3)nc2)nc1
InChIInChI=1S/C20H17N5/c1-2-7-18-15(5-1)16-8-10-25(13-19(16)24-18)20-22-11-14(12-23-20)17-6-3-4-9-21-17/h1-7,9,11-12,24H,8,10,13H2
InChIKeyUFPIJHRCCZQQNC-UHFFFAOYSA-N
XLogP3.58
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-ethylfuran-2-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141492994
1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine
CID 118402613
2-[6-(azetidin-1-yl)-5-nitropyrimidin-4-yl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 3854937
2-(3-methylpiperazin-1-yl)-5-pyridin-2-ylpyrimidine
CID 116976436
2-[6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 146270743
4-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]-4-azaspiro[2.3]hexan-6-ol
CID 146270792
ethane;3-[3-[4-(5-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole
CID 159917122
2-(quinolin-3-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 3867472
N-tert-butyl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanimine
CID 14105650
2-pyridin-3-ylsulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 3725718
4-(3-aminocyclobutyl)-6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)pyrimidin-2-amine;dihydrochloride
CID 154903375
6-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)-1,4-diazepane
CID 116976481

Frequently Asked Questions

What is the IUPAC name of 2-(5-pyridin-2-ylpyrimidin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 2-(5-pyridin-2-ylpyrimidin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole (CID 141492986) is 2-(5-pyridin-2-ylpyrimidin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 2-(5-pyridin-2-ylpyrimidin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 2-(5-pyridin-2-ylpyrimidin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole is c1ccc(-c2cnc(N3CCc4c([nH]c5ccccc45)C3)nc2)nc1.
What is the InChIKey of 2-(5-pyridin-2-ylpyrimidin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The InChIKey is UFPIJHRCCZQQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c1-2-7-18-15(5-1)16-8-10-25(13-19(16)24-18)20-22-11-14(12-23-20)17-6-3-4-9-21-17/h1-7,9,11-12,24H,8,10,13H2.
What are the key properties of 2-(5-pyridin-2-ylpyrimidin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
2-(5-pyridin-2-ylpyrimidin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 327.39 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyridin-2-ylpyrimidin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 141492986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).