2-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-piperazin-1-ylquinazoline

C19H18FN7 — CID 168977346

IUPAC2-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-piperazin-1-ylquinazoline
SMILESCc1nc2c(F)cc(-c3ncc4cc(N5CCNCC5)ccc4n3)cn2n1
InChIInChI=1S/C19H18FN7/c1-12-23-19-16(20)9-14(11-27(19)25-12)18-22-10-13-8-15(2-3-17(13)24-18)26-6-4-21-5-7-26/h2-3,8-11,21H,4-7H2,1H3
InChIKeyMCLUFHYNUUAYTL-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.20
Rot. Bonds2

About 2-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-piperazin-1-ylquinazoline

2-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-piperazin-1-ylquinazoline (PubChem CID 168977346) has the molecular formula C19H18FN7 and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-piperazin-1-ylquinazoline.

Molecular Properties

Compound Name2-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-piperazin-1-ylquinazoline
PubChem CID168977346
Molecular FormulaC19H18FN7
Molecular Weight363.40 g/mol
Exact Mass363.16
IUPAC Name2-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-piperazin-1-ylquinazoline
SMILESCc1nc2c(F)cc(-c3ncc4cc(N5CCNCC5)ccc4n3)cn2n1
InChIInChI=1S/C19H18FN7/c1-12-23-19-16(20)9-14(11-27(19)25-12)18-22-10-13-8-15(2-3-17(13)24-18)26-6-4-21-5-7-26/h2-3,8-11,21H,4-7H2,1H3
InChIKeyMCLUFHYNUUAYTL-UHFFFAOYSA-N
XLogP2.20
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-piperazin-1-ylquinazoline with MolForge

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Related Compounds

2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline
CID 138958586
6-(3,5-dimethylpiperazin-1-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)quinazoline
CID 168977126
6-(3,5-dimethylpiperazin-1-yl)-2-[8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinazoline
CID 168977017
2-(8-fluoro-2-methyl-1H-imidazo[1,2-a]pyridin-4-ium-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline
CID 170855697
6-(3,5-dimethylpiperazin-1-yl)-2-(7-fluoro-2-methylindazol-5-yl)quinazoline
CID 168977015
2-methyl-6-piperazin-1-ylquinoxaline
CID 117275288
2-methyl-6-piperazin-1-yl-1H-benzimidazole
CID 20580687
2,4-dimethyl-6-(4-piperazin-1-ylphenyl)-1,3,5-triazine
CID 82487984
N-(4-chloro-6-piperazin-1-yl-1H-indazol-3-yl)-8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 176566106
3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylquinazolin-4-one
CID 156889009
1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]piperazine
CID 82483118
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-6-(4-methylpiperazin-1-yl)quinazoline
CID 156905453

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-piperazin-1-ylquinazoline?
The IUPAC name of 2-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-piperazin-1-ylquinazoline (CID 168977346) is 2-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-piperazin-1-ylquinazoline.
What is the SMILES notation for 2-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-piperazin-1-ylquinazoline?
The canonical SMILES for 2-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-piperazin-1-ylquinazoline is Cc1nc2c(F)cc(-c3ncc4cc(N5CCNCC5)ccc4n3)cn2n1.
What is the InChIKey of 2-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-piperazin-1-ylquinazoline?
The InChIKey is MCLUFHYNUUAYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7/c1-12-23-19-16(20)9-14(11-27(19)25-12)18-22-10-13-8-15(2-3-17(13)24-18)26-6-4-21-5-7-26/h2-3,8-11,21H,4-7H2,1H3.
What are the key properties of 2-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-piperazin-1-ylquinazoline?
2-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-piperazin-1-ylquinazoline has a molecular weight of 363.40 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-piperazin-1-ylquinazoline is sourced from PubChem (CID 168977346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).