tert-butyl 4-fluoro-4-[8-fluoro-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate;8-fluoro-2-(4-fluoropiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;8-fluoro-2-(4-fluoro-1-propan-2-ylpiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;formic acid

C73H75F6N15O9 — CID 167676052

About tert-butyl 4-fluoro-4-[8-fluoro-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate;8-fluoro-2-(4-fluoropiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;8-fluoro-2-(4-fluoro-1-propan-2-ylpiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;formic acid

tert-butyl 4-fluoro-4-[8-fluoro-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate;8-fluoro-2-(4-fluoropiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;8-fluoro-2-(4-fluoro-1-propan-2-ylpiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;formic acid (PubChem CID 167676052) has the molecular formula C73H75F6N15O9 and a molecular weight of 1420.49 g/mol. Its IUPAC name is tert-butyl 4-fluoro-4-[8-fluoro-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate;8-fluoro-2-(4-fluoropiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;8-fluoro-2-(4-fluoro-1-propan-2-ylpiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;formic acid.

Molecular Properties

• Compound Name: tert-butyl 4-fluoro-4-[8-fluoro-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate;8-fluoro-2-(4-fluoropiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;8-fluoro-2-(4-fluoro-1-propan-2-ylpiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;formic acid
• PubChem CID: 167676052
• Molecular Formula: C73H75F6N15O9
• Molecular Weight: 1420.49 g/mol
• Exact Mass: 1419.58
• IUPAC Name: tert-butyl 4-fluoro-4-[8-fluoro-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate;8-fluoro-2-(4-fluoropiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;8-fluoro-2-(4-fluoro-1-propan-2-ylpiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;formic acid
• SMILES: Cc1cn2cc(-c3cc(F)c4nc(C5(F)CCN(C(=O)OC(C)(C)C)CC5)[nH]c(=O)c4c3)ccc2n1.Cc1cn2cc(-c3cc(F)c4nc(C5(F)CCN(C(C)C)CC5)[nH]c(=O)c4c3)ccc2n1.Cc1cn2cc(-c3cc(F)c4nc(C5(F)CCNCC5)[nH]c(=O)c4c3)ccc2n1.O=CO.O=CO
• InChI: InChI=1S/C26H27F2N5O3.C24H25F2N5O.C21H19F2N5O.2CH2O2/c1-15-13-33-14-16(5-6-20(33)29-15)17-11-18-21(19(27)12-17)30-23(31-22(18)34)26(28)7-9-32(10-8-26)24(35)36-25(2,3)4;1-14(2)30-8-6-24(26,7-9-30)23-28-21-18(22(32)29-23)10-17(11-19(21)25)16-4-5-20-27-15(3)12-31(20)13-16;1-12-10-28-11-13(2-3-17(28)25-12)14-8-15-18(16(22)9-14)26-20(27-19(15)29)21(23)4-6-24-7-5-21;2*2-1-3/h5-6,11-14H,7-10H2,1-4H3,(H,30,31,34);4-5,10-14H,6-9H2,1-3H3,(H,28,29,32);2-3,8-11,24H,4-7H2,1H3,(H,26,27,29);2*1H,(H,2,3)
• InChIKey: UVCRPTRYCGDHAA-UHFFFAOYSA-N
• XLogP: 11.87
• TPSA: 308.56 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 7
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1420.49
LogP ≤ 5	11.87
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-fluoro-4-[8-fluoro-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate;8-fluoro-2-(4-fluoropiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;8-fluoro-2-(4-fluoro-1-propan-2-ylpiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;formic acid?

The IUPAC name of tert-butyl 4-fluoro-4-[8-fluoro-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate;8-fluoro-2-(4-fluoropiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;8-fluoro-2-(4-fluoro-1-propan-2-ylpiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;formic acid (CID 167676052) is tert-butyl 4-fluoro-4-[8-fluoro-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate;8-fluoro-2-(4-fluoropiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;8-fluoro-2-(4-fluoro-1-propan-2-ylpiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;formic acid.

What is the SMILES notation for tert-butyl 4-fluoro-4-[8-fluoro-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate;8-fluoro-2-(4-fluoropiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;8-fluoro-2-(4-fluoro-1-propan-2-ylpiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;formic acid?

The canonical SMILES for tert-butyl 4-fluoro-4-[8-fluoro-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate;8-fluoro-2-(4-fluoropiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;8-fluoro-2-(4-fluoro-1-propan-2-ylpiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;formic acid is Cc1cn2cc(-c3cc(F)c4nc(C5(F)CCN(C(=O)OC(C)(C)C)CC5)[nH]c(=O)c4c3)ccc2n1.Cc1cn2cc(-c3cc(F)c4nc(C5(F)CCN(C(C)C)CC5)[nH]c(=O)c4c3)ccc2n1.Cc1cn2cc(-c3cc(F)c4nc(C5(F)CCNCC5)[nH]c(=O)c4c3)ccc2n1.O=CO.O=CO.

What is the InChIKey of tert-butyl 4-fluoro-4-[8-fluoro-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate;8-fluoro-2-(4-fluoropiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;8-fluoro-2-(4-fluoro-1-propan-2-ylpiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;formic acid?

The InChIKey is UVCRPTRYCGDHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N5O3.C24H25F2N5O.C21H19F2N5O.2CH2O2/c1-15-13-33-14-16(5-6-20(33)29-15)17-11-18-21(19(27)12-17)30-23(31-22(18)34)26(28)7-9-32(10-8-26)24(35)36-25(2,3)4;1-14(2)30-8-6-24(26,7-9-30)23-28-21-18(22(32)29-23)10-17(11-19(21)25)16-4-5-20-27-15(3)12-31(20)13-16;1-12-10-28-11-13(2-3-17(28)25-12)14-8-15-18(16(22)9-14)26-20(27-19(15)29)21(23)4-6-24-7-5-21;2*2-1-3/h5-6,11-14H,7-10H2,1-4H3,(H,30,31,34);4-5,10-14H,6-9H2,1-3H3,(H,28,29,32);2-3,8-11,24H,4-7H2,1H3,(H,26,27,29);2*1H,(H,2,3).

What are the key properties of tert-butyl 4-fluoro-4-[8-fluoro-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate;8-fluoro-2-(4-fluoropiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;8-fluoro-2-(4-fluoro-1-propan-2-ylpiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;formic acid?

tert-butyl 4-fluoro-4-[8-fluoro-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate;8-fluoro-2-(4-fluoropiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;8-fluoro-2-(4-fluoro-1-propan-2-ylpiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;formic acid has a molecular weight of 1420.49 g/mol, XLogP of 11.87, 7 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-fluoro-4-[8-fluoro-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate;8-fluoro-2-(4-fluoropiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;8-fluoro-2-(4-fluoro-1-propan-2-ylpiperidin-4-yl)-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one;formic acid is sourced from PubChem (CID 167676052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).