tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-methyl-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate

C27H30FN5O3 — CID 153382105

About tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-methyl-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate

tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-methyl-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate (PubChem CID 153382105) has the molecular formula C27H30FN5O3 and a molecular weight of 491.57 g/mol. Its IUPAC name is tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-methyl-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-methyl-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate
• PubChem CID: 153382105
• Molecular Formula: C27H30FN5O3
• Molecular Weight: 491.57 g/mol
• Exact Mass: 491.23
• IUPAC Name: tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-methyl-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate
• SMILES: Cc1cn2cc(-c3cc(C)c4nc(C5CCN(C(=O)OC(C)(C)C)CC5)[nH]c(=O)c4c3)cc(F)c2n1
• InChI: InChI=1S/C27H30FN5O3/c1-15-10-18(19-12-21(28)24-29-16(2)13-33(24)14-19)11-20-22(15)30-23(31-25(20)34)17-6-8-32(9-7-17)26(35)36-27(3,4)5/h10-14,17H,6-9H2,1-5H3,(H,30,31,34)
• InChIKey: MKWIRLCKYZPDAI-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 92.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.57
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-methyl-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-methyl-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate (CID 153382105) is tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-methyl-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-methyl-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-methyl-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate is Cc1cn2cc(-c3cc(C)c4nc(C5CCN(C(=O)OC(C)(C)C)CC5)[nH]c(=O)c4c3)cc(F)c2n1.

What is the InChIKey of tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-methyl-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate?

The InChIKey is MKWIRLCKYZPDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O3/c1-15-10-18(19-12-21(28)24-29-16(2)13-33(24)14-19)11-20-22(15)30-23(31-25(20)34)17-6-8-32(9-7-17)26(35)36-27(3,4)5/h10-14,17H,6-9H2,1-5H3,(H,30,31,34).

What are the key properties of tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-methyl-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate?

tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-methyl-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate has a molecular weight of 491.57 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-methyl-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 153382105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).