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

C22H22FN5O — CID 156888890

IUPAC7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(2R,4R)-2-methylpiperidin-4-yl]quinazolin-4-one
SMILESCc1cn2cc(-c3ccc4c(=O)n([C@@H]5CCN[C@H](C)C5)cnc4c3)cc(F)c2n1
InChIInChI=1S/C22H22FN5O/c1-13-7-17(5-6-24-13)28-12-25-20-9-15(3-4-18(20)22(28)29)16-8-19(23)21-26-14(2)10-27(21)11-16/h3-4,8-13,17,24H,5-7H2,1-2H3/t13-,17-/m1/s1
InChIKeyKCYMJCJJIVJOAF-CXAGYDPISA-N
MW391.45 g/mol
LogP3.47
Rot. Bonds2

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

7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(2R,4R)-2-methylpiperidin-4-yl]quinazolin-4-one (PubChem CID 156888890) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is 7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(2R,4R)-2-methylpiperidin-4-yl]quinazolin-4-one.

Molecular Properties

Compound Name7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(2R,4R)-2-methylpiperidin-4-yl]quinazolin-4-one
PubChem CID156888890
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC Name7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(2R,4R)-2-methylpiperidin-4-yl]quinazolin-4-one
SMILESCc1cn2cc(-c3ccc4c(=O)n([C@@H]5CCN[C@H](C)C5)cnc4c3)cc(F)c2n1
InChIInChI=1S/C22H22FN5O/c1-13-7-17(5-6-24-13)28-12-25-20-9-15(3-4-18(20)22(28)29)16-8-19(23)21-26-14(2)10-27(21)11-16/h3-4,8-13,17,24H,5-7H2,1-2H3/t13-,17-/m1/s1
InChIKeyKCYMJCJJIVJOAF-CXAGYDPISA-N
XLogP3.47
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(2R,4R)-2-methylpiperidin-4-yl]quinazolin-4-one?
The IUPAC name of 7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(2R,4R)-2-methylpiperidin-4-yl]quinazolin-4-one (CID 156888890) is 7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(2R,4R)-2-methylpiperidin-4-yl]quinazolin-4-one.
What is the SMILES notation for 7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(2R,4R)-2-methylpiperidin-4-yl]quinazolin-4-one?
The canonical SMILES for 7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(2R,4R)-2-methylpiperidin-4-yl]quinazolin-4-one is Cc1cn2cc(-c3ccc4c(=O)n([C@@H]5CCN[C@H](C)C5)cnc4c3)cc(F)c2n1.
What is the InChIKey of 7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(2R,4R)-2-methylpiperidin-4-yl]quinazolin-4-one?
The InChIKey is KCYMJCJJIVJOAF-CXAGYDPISA-N. The full InChI is InChI=1S/C22H22FN5O/c1-13-7-17(5-6-24-13)28-12-25-20-9-15(3-4-18(20)22(28)29)16-8-19(23)21-26-14(2)10-27(21)11-16/h3-4,8-13,17,24H,5-7H2,1-2H3/t13-,17-/m1/s1.
What are the key properties of 7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(2R,4R)-2-methylpiperidin-4-yl]quinazolin-4-one?
7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(2R,4R)-2-methylpiperidin-4-yl]quinazolin-4-one has a molecular weight of 391.45 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(2R,4R)-2-methylpiperidin-4-yl]quinazolin-4-one is sourced from PubChem (CID 156888890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).