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

C24H23F2N5O — CID 153382185

IUPAC2-(1-cyclopropyl-4-fluoropiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one
SMILESCc1cn2cc(-c3ccc4nc(C5(F)CCN(C6CC6)CC5)[nH]c(=O)c4c3)cc(F)c2n1
InChIInChI=1S/C24H23F2N5O/c1-14-12-31-13-16(11-19(25)21(31)27-14)15-2-5-20-18(10-15)22(32)29-23(28-20)24(26)6-8-30(9-7-24)17-3-4-17/h2,5,10-13,17H,3-4,6-9H2,1H3,(H,28,29,32)
InChIKeyKPGGDFSERWZQPA-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.11
Rot. Bonds3

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

2-(1-cyclopropyl-4-fluoropiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one (PubChem CID 153382185) has the molecular formula C24H23F2N5O and a molecular weight of 435.48 g/mol. Its IUPAC name is 2-(1-cyclopropyl-4-fluoropiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(1-cyclopropyl-4-fluoropiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one
PubChem CID153382185
Molecular FormulaC24H23F2N5O
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name2-(1-cyclopropyl-4-fluoropiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one
SMILESCc1cn2cc(-c3ccc4nc(C5(F)CCN(C6CC6)CC5)[nH]c(=O)c4c3)cc(F)c2n1
InChIInChI=1S/C24H23F2N5O/c1-14-12-31-13-16(11-19(25)21(31)27-14)15-2-5-20-18(10-15)22(32)29-23(28-20)24(26)6-8-30(9-7-24)17-3-4-17/h2,5,10-13,17H,3-4,6-9H2,1H3,(H,28,29,32)
InChIKeyKPGGDFSERWZQPA-UHFFFAOYSA-N
XLogP4.11
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-4-fluoropiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(1-cyclopropyl-4-fluoropiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one (CID 153382185) is 2-(1-cyclopropyl-4-fluoropiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(1-cyclopropyl-4-fluoropiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(1-cyclopropyl-4-fluoropiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one is Cc1cn2cc(-c3ccc4nc(C5(F)CCN(C6CC6)CC5)[nH]c(=O)c4c3)cc(F)c2n1.
What is the InChIKey of 2-(1-cyclopropyl-4-fluoropiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one?
The InChIKey is KPGGDFSERWZQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O/c1-14-12-31-13-16(11-19(25)21(31)27-14)15-2-5-20-18(10-15)22(32)29-23(28-20)24(26)6-8-30(9-7-24)17-3-4-17/h2,5,10-13,17H,3-4,6-9H2,1H3,(H,28,29,32).
What are the key properties of 2-(1-cyclopropyl-4-fluoropiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one?
2-(1-cyclopropyl-4-fluoropiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one has a molecular weight of 435.48 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-4-fluoropiperidin-4-yl)-6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 153382185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).