5-methyl-7-(6-piperidin-1-yl-3-pyridinyl)pyrido[4,3-b]indole

C22H22N4 — CID 134564253

IUPAC5-methyl-7-(6-piperidin-1-yl-3-pyridinyl)pyrido[4,3-b]indole
SMILESCn1c2ccncc2c2ccc(-c3ccc(N4CCCCC4)nc3)cc21
InChIInChI=1S/C22H22N4/c1-25-20-9-10-23-15-19(20)18-7-5-16(13-21(18)25)17-6-8-22(24-14-17)26-11-3-2-4-12-26/h5-10,13-15H,2-4,11-12H2,1H3
InChIKeyOOVCDEOOJXRIOA-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.78
Rot. Bonds2

About 5-methyl-7-(6-piperidin-1-yl-3-pyridinyl)pyrido[4,3-b]indole

5-methyl-7-(6-piperidin-1-yl-3-pyridinyl)pyrido[4,3-b]indole (PubChem CID 134564253) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 5-methyl-7-(6-piperidin-1-yl-3-pyridinyl)pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-methyl-7-(6-piperidin-1-yl-3-pyridinyl)pyrido[4,3-b]indole
PubChem CID134564253
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name5-methyl-7-(6-piperidin-1-yl-3-pyridinyl)pyrido[4,3-b]indole
SMILESCn1c2ccncc2c2ccc(-c3ccc(N4CCCCC4)nc3)cc21
InChIInChI=1S/C22H22N4/c1-25-20-9-10-23-15-19(20)18-7-5-16(13-21(18)25)17-6-8-22(24-14-17)26-11-3-2-4-12-26/h5-10,13-15H,2-4,11-12H2,1H3
InChIKeyOOVCDEOOJXRIOA-UHFFFAOYSA-N
XLogP4.78
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole
CID 170936017
1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidine-4-carbaldehyde;[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methanol
CID 167661321
7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]piperidin-4-yl]methanol;piperidin-4-ylmethanol
CID 167701876
5-methyl-7-phenylpyrido[4,3-b]indole
CID 155583386
5-methyl-7-[6-[3-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]azetidin-1-yl]-3-pyridinyl]pyrido[4,3-b]indole
CID 134489320
7-[6-[3-[(5-iodo-2-pyridinyl)oxy]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole
CID 134481426
7-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-5-methylpyrido[4,3-b]indole
CID 134481360
methanesulfonic acid;8-methyl-11-pyrrolidin-1-yl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 144891377
2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyacetaldehyde
CID 165371634
5-methyl-7-[6-[3-(6-methylpyridazin-3-yl)oxycyclobutyl]oxy-3-pyridinyl]pyrido[4,3-b]indole
CID 134493002
benzyl 4-[1-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]azetidin-3-yl]oxypiperidine-1-carboxylate;5-methyl-7-[6-(3-piperidin-4-yloxyazetidin-1-yl)-3-pyridinyl]pyrido[4,3-b]indole
CID 167672831
7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;hydroiodide
CID 158006586

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(6-piperidin-1-yl-3-pyridinyl)pyrido[4,3-b]indole?
The IUPAC name of 5-methyl-7-(6-piperidin-1-yl-3-pyridinyl)pyrido[4,3-b]indole (CID 134564253) is 5-methyl-7-(6-piperidin-1-yl-3-pyridinyl)pyrido[4,3-b]indole.
What is the SMILES notation for 5-methyl-7-(6-piperidin-1-yl-3-pyridinyl)pyrido[4,3-b]indole?
The canonical SMILES for 5-methyl-7-(6-piperidin-1-yl-3-pyridinyl)pyrido[4,3-b]indole is Cn1c2ccncc2c2ccc(-c3ccc(N4CCCCC4)nc3)cc21.
What is the InChIKey of 5-methyl-7-(6-piperidin-1-yl-3-pyridinyl)pyrido[4,3-b]indole?
The InChIKey is OOVCDEOOJXRIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-25-20-9-10-23-15-19(20)18-7-5-16(13-21(18)25)17-6-8-22(24-14-17)26-11-3-2-4-12-26/h5-10,13-15H,2-4,11-12H2,1H3.
What are the key properties of 5-methyl-7-(6-piperidin-1-yl-3-pyridinyl)pyrido[4,3-b]indole?
5-methyl-7-(6-piperidin-1-yl-3-pyridinyl)pyrido[4,3-b]indole has a molecular weight of 342.45 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(6-piperidin-1-yl-3-pyridinyl)pyrido[4,3-b]indole is sourced from PubChem (CID 134564253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).