4-[7-(1-butyl-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline

C24H23N5 — CID 123149440

IUPAC4-[7-(1-butyl-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline
SMILESCCCCN1C=CC(c2ccn3c(-c4ccnc5ccccc45)nnc3c2)=CC1
InChIInChI=1S/C24H23N5/c1-2-3-13-28-14-9-18(10-15-28)19-11-16-29-23(17-19)26-27-24(29)21-8-12-25-22-7-5-4-6-20(21)22/h4-12,14,16-17H,2-3,13,15H2,1H3
InChIKeyMVQJQARNWDTOCT-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.96
Rot. Bonds5

About 4-[7-(1-butyl-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline

4-[7-(1-butyl-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline (PubChem CID 123149440) has the molecular formula C24H23N5 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-[7-(1-butyl-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name4-[7-(1-butyl-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline
PubChem CID123149440
Molecular FormulaC24H23N5
Molecular Weight381.48 g/mol
Exact Mass381.20
IUPAC Name4-[7-(1-butyl-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline
SMILESCCCCN1C=CC(c2ccn3c(-c4ccnc5ccccc45)nnc3c2)=CC1
InChIInChI=1S/C24H23N5/c1-2-3-13-28-14-9-18(10-15-28)19-11-16-29-23(17-19)26-27-24(29)21-8-12-25-22-7-5-4-6-20(21)22/h4-12,14,16-17H,2-3,13,15H2,1H3
InChIKeyMVQJQARNWDTOCT-UHFFFAOYSA-N
XLogP4.96
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[7-(1-butyl-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline with MolForge

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Related Compounds

4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline
CID 53393051
4-(7-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
CID 53393073
4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-1H-pyridin-2-one
CID 53393054
4-[7-(4-prop-2-enoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline
CID 53393049
N,N-diphenyl-4-(1-propyl-2H-pyridin-4-yl)aniline
CID 174176319
2,6-dimethyl-4-[5-(3-quinolin-4-ylimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]morpholine
CID 142306273
4-(3-methylphenyl)quinoline
CID 146587179
2-[(4-methyl-5-quinolin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
CID 53414628
4-(4-phenyl-1,2,4-triazol-3-yl)quinoline
CID 115393321
5,10,15,20-tetrakis(1-octadecyl-2H-pyridin-4-yl)-21,23-dihydroporphyrin
CID 136593498
1-butyl-2H-pyridine;2-octylpyridine
CID 175452133
4-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]quinoline
CID 56861407

Frequently Asked Questions

What is the IUPAC name of 4-[7-(1-butyl-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline?
The IUPAC name of 4-[7-(1-butyl-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline (CID 123149440) is 4-[7-(1-butyl-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 4-[7-(1-butyl-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline?
The canonical SMILES for 4-[7-(1-butyl-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline is CCCCN1C=CC(c2ccn3c(-c4ccnc5ccccc45)nnc3c2)=CC1.
What is the InChIKey of 4-[7-(1-butyl-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline?
The InChIKey is MVQJQARNWDTOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5/c1-2-3-13-28-14-9-18(10-15-28)19-11-16-29-23(17-19)26-27-24(29)21-8-12-25-22-7-5-4-6-20(21)22/h4-12,14,16-17H,2-3,13,15H2,1H3.
What are the key properties of 4-[7-(1-butyl-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline?
4-[7-(1-butyl-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline has a molecular weight of 381.48 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(1-butyl-2H-pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 123149440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).