2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one

C25H28FN5O — CID 156888875

IUPAC2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one
SMILESCc1cn2cc(-c3nc4ccc(C5CC(C)(C)NC(C)(C)C5)cc4c(=O)[nH]3)cc(F)c2n1
InChIInChI=1S/C25H28FN5O/c1-14-12-31-13-16(9-19(26)22(31)27-14)21-28-20-7-6-15(8-18(20)23(32)29-21)17-10-24(2,3)30-25(4,5)11-17/h6-9,12-13,17,30H,10-11H2,1-5H3,(H,28,29,32)
InChIKeyQGXJSEBPHQXPOS-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.71
Rot. Bonds2

About 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one

2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one (PubChem CID 156888875) has the molecular formula C25H28FN5O and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one
PubChem CID156888875
Molecular FormulaC25H28FN5O
Molecular Weight433.53 g/mol
Exact Mass433.23
IUPAC Name2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one
SMILESCc1cn2cc(-c3nc4ccc(C5CC(C)(C)NC(C)(C)C5)cc4c(=O)[nH]3)cc(F)c2n1
InChIInChI=1S/C25H28FN5O/c1-14-12-31-13-16(9-19(26)22(31)27-14)21-28-20-7-6-15(8-18(20)23(32)29-21)17-10-24(2,3)30-25(4,5)11-17/h6-9,12-13,17,30H,10-11H2,1-5H3,(H,28,29,32)
InChIKeyQGXJSEBPHQXPOS-UHFFFAOYSA-N
XLogP4.71
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one (CID 156888875) is 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one is Cc1cn2cc(-c3nc4ccc(C5CC(C)(C)NC(C)(C)C5)cc4c(=O)[nH]3)cc(F)c2n1.
What is the InChIKey of 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one?
The InChIKey is QGXJSEBPHQXPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O/c1-14-12-31-13-16(9-19(26)22(31)27-14)21-28-20-7-6-15(8-18(20)23(32)29-21)17-10-24(2,3)30-25(4,5)11-17/h6-9,12-13,17,30H,10-11H2,1-5H3,(H,28,29,32).
What are the key properties of 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one?
2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one has a molecular weight of 433.53 g/mol, XLogP of 4.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 156888875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).