2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline

C21H21FN6 — CID 138958586

IUPAC2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline
SMILESCc1cn2cc(-c3ncc4cc(N5CCN(C)CC5)ccc4n3)cc(F)c2n1
InChIInChI=1S/C21H21FN6/c1-14-12-28-13-16(10-18(22)21(28)24-14)20-23-11-15-9-17(3-4-19(15)25-20)27-7-5-26(2)6-8-27/h3-4,9-13H,5-8H2,1-2H3
InChIKeyBAUHPLMKUXWNJQ-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.14
Rot. Bonds2

About 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline

2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline (PubChem CID 138958586) has the molecular formula C21H21FN6 and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline
PubChem CID138958586
Molecular FormulaC21H21FN6
Molecular Weight376.44 g/mol
Exact Mass376.18
IUPAC Name2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline
SMILESCc1cn2cc(-c3ncc4cc(N5CCN(C)CC5)ccc4n3)cc(F)c2n1
InChIInChI=1S/C21H21FN6/c1-14-12-28-13-16(10-18(22)21(28)24-14)20-23-11-15-9-17(3-4-19(15)25-20)27-7-5-26(2)6-8-27/h3-4,9-13H,5-8H2,1-2H3
InChIKeyBAUHPLMKUXWNJQ-UHFFFAOYSA-N
XLogP3.14
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,5-dimethylpiperazin-1-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)quinazoline
CID 168977126
2-(8-fluoro-2-methyl-1H-imidazo[1,2-a]pyridin-4-ium-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline
CID 170855697
2-(8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-piperazin-1-ylquinazoline
CID 168977346
6-(3,5-dimethylpiperazin-1-yl)-2-[8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinazoline
CID 168977017
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-6-(4-methylpiperazin-1-yl)quinazoline
CID 156905453
(3S)-1-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrido[3,2-d]pyrimidin-6-yl]-N-methylpyrrolidin-3-amine
CID 168976839
2-chloro-6-(4-methylpiperazin-1-yl)quinazoline;hydrochloride
CID 142636464
5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;hydrochloride
CID 156755756
7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-methylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 156888579
(3R)-1-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)naphthalen-2-yl]-N-methylpyrrolidin-3-amine
CID 168978643
ethane;1-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxopyrido[1,2-a][1,3,5]triazin-7-yl]-1,4-azaborinane-4-carbonitrile
CID 172601445
5-fluoro-7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one
CID 156889101

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline?
The IUPAC name of 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline (CID 138958586) is 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline?
The canonical SMILES for 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline is Cc1cn2cc(-c3ncc4cc(N5CCN(C)CC5)ccc4n3)cc(F)c2n1.
What is the InChIKey of 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline?
The InChIKey is BAUHPLMKUXWNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6/c1-14-12-28-13-16(10-18(22)21(28)24-14)20-23-11-15-9-17(3-4-19(15)25-20)27-7-5-26(2)6-8-27/h3-4,9-13H,5-8H2,1-2H3.
What are the key properties of 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline?
2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline has a molecular weight of 376.44 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 138958586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).