6-(3,5-dimethylpiperazin-1-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)quinazoline

C22H23FN6 — CID 168977126

IUPAC6-(3,5-dimethylpiperazin-1-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)quinazoline
SMILESCc1cn2cc(-c3ncc4cc(N5CC(C)NC(C)C5)ccc4n3)cc(F)c2n1
InChIInChI=1S/C22H23FN6/c1-13-9-28(10-14(2)25-13)18-4-5-20-16(6-18)8-24-21(27-20)17-7-19(23)22-26-15(3)11-29(22)12-17/h4-8,11-14,25H,9-10H2,1-3H3
InChIKeyMOLPQBRZVPKVNX-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.58
Rot. Bonds2

About 6-(3,5-dimethylpiperazin-1-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)quinazoline

6-(3,5-dimethylpiperazin-1-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)quinazoline (PubChem CID 168977126) has the molecular formula C22H23FN6 and a molecular weight of 390.47 g/mol. Its IUPAC name is 6-(3,5-dimethylpiperazin-1-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)quinazoline.

Molecular Properties

Compound Name6-(3,5-dimethylpiperazin-1-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)quinazoline
PubChem CID168977126
Molecular FormulaC22H23FN6
Molecular Weight390.47 g/mol
Exact Mass390.20
IUPAC Name6-(3,5-dimethylpiperazin-1-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)quinazoline
SMILESCc1cn2cc(-c3ncc4cc(N5CC(C)NC(C)C5)ccc4n3)cc(F)c2n1
InChIInChI=1S/C22H23FN6/c1-13-9-28(10-14(2)25-13)18-4-5-20-16(6-18)8-24-21(27-20)17-7-19(23)22-26-15(3)11-29(22)12-17/h4-8,11-14,25H,9-10H2,1-3H3
InChIKeyMOLPQBRZVPKVNX-UHFFFAOYSA-N
XLogP3.58
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpiperazin-1-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)quinazoline?
The IUPAC name of 6-(3,5-dimethylpiperazin-1-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)quinazoline (CID 168977126) is 6-(3,5-dimethylpiperazin-1-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)quinazoline.
What is the SMILES notation for 6-(3,5-dimethylpiperazin-1-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)quinazoline?
The canonical SMILES for 6-(3,5-dimethylpiperazin-1-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)quinazoline is Cc1cn2cc(-c3ncc4cc(N5CC(C)NC(C)C5)ccc4n3)cc(F)c2n1.
What is the InChIKey of 6-(3,5-dimethylpiperazin-1-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)quinazoline?
The InChIKey is MOLPQBRZVPKVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6/c1-13-9-28(10-14(2)25-13)18-4-5-20-16(6-18)8-24-21(27-20)17-7-19(23)22-26-15(3)11-29(22)12-17/h4-8,11-14,25H,9-10H2,1-3H3.
What are the key properties of 6-(3,5-dimethylpiperazin-1-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)quinazoline?
6-(3,5-dimethylpiperazin-1-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)quinazoline has a molecular weight of 390.47 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpiperazin-1-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)quinazoline is sourced from PubChem (CID 168977126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).