5-fluoro-7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one

C22H21F2N5O — CID 156889101

IUPAC5-fluoro-7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one
SMILESCc1cn2cc(-c3cc(F)c4c(=O)n(C5CCN(C)CC5)cnc4c3)cc(F)c2n1
InChIInChI=1S/C22H21F2N5O/c1-13-10-28-11-15(8-18(24)21(28)26-13)14-7-17(23)20-19(9-14)25-12-29(22(20)30)16-3-5-27(2)6-4-16/h7-12,16H,3-6H2,1-2H3
InChIKeyXEJONEJNUJZYBV-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.56
Rot. Bonds2

About 5-fluoro-7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one

5-fluoro-7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one (PubChem CID 156889101) has the molecular formula C22H21F2N5O and a molecular weight of 409.44 g/mol. Its IUPAC name is 5-fluoro-7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one.

Molecular Properties

Compound Name5-fluoro-7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one
PubChem CID156889101
Molecular FormulaC22H21F2N5O
Molecular Weight409.44 g/mol
Exact Mass409.17
IUPAC Name5-fluoro-7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one
SMILESCc1cn2cc(-c3cc(F)c4c(=O)n(C5CCN(C)CC5)cnc4c3)cc(F)c2n1
InChIInChI=1S/C22H21F2N5O/c1-13-10-28-11-15(8-18(24)21(28)26-13)14-7-17(23)20-19(9-14)25-12-29(22(20)30)16-3-5-27(2)6-4-16/h7-12,16H,3-6H2,1-2H3
InChIKeyXEJONEJNUJZYBV-UHFFFAOYSA-N
XLogP3.56
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one?
The IUPAC name of 5-fluoro-7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one (CID 156889101) is 5-fluoro-7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one.
What is the SMILES notation for 5-fluoro-7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one?
The canonical SMILES for 5-fluoro-7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one is Cc1cn2cc(-c3cc(F)c4c(=O)n(C5CCN(C)CC5)cnc4c3)cc(F)c2n1.
What is the InChIKey of 5-fluoro-7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one?
The InChIKey is XEJONEJNUJZYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5O/c1-13-10-28-11-15(8-18(24)21(28)26-13)14-7-17(23)20-19(9-14)25-12-29(22(20)30)16-3-5-27(2)6-4-16/h7-12,16H,3-6H2,1-2H3.
What are the key properties of 5-fluoro-7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one?
5-fluoro-7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one has a molecular weight of 409.44 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-(1-methylpiperidin-4-yl)quinazolin-4-one is sourced from PubChem (CID 156889101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).