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

C26H28F2N6O3 — CID 153382061

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

tert-butyl 4-fluoro-4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-methyl-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl]piperidine-1-carboxylate (PubChem CID 153382061) has the molecular formula C26H28F2N6O3 and a molecular weight of 510.55 g/mol. Its IUPAC name is tert-butyl 4-fluoro-4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-methyl-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-fluoro-4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-methyl-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl]piperidine-1-carboxylate
• PubChem CID: 153382061
• Molecular Formula: C26H28F2N6O3
• Molecular Weight: 510.55 g/mol
• Exact Mass: 510.22
• IUPAC Name: tert-butyl 4-fluoro-4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-methyl-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl]piperidine-1-carboxylate
• SMILES: Cc1cn2cc(-c3cc(C)c4nc(C5(F)CCN(C(=O)OC(C)(C)C)CC5)[nH]c(=O)c4n3)cc(F)c2n1
• InChI: InChI=1S/C26H28F2N6O3/c1-14-10-18(16-11-17(27)21-29-15(2)12-34(21)13-16)30-20-19(14)31-23(32-22(20)35)26(28)6-8-33(9-7-26)24(36)37-25(3,4)5/h10-13H,6-9H2,1-5H3,(H,31,32,35)
• InChIKey: GQADDHYNMUHZOO-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 105.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.55
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of tert-butyl 4-fluoro-4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-methyl-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl]piperidine-1-carboxylate (CID 153382061) is tert-butyl 4-fluoro-4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-methyl-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl]piperidine-1-carboxylate.

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

The canonical SMILES for tert-butyl 4-fluoro-4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-methyl-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl]piperidine-1-carboxylate is Cc1cn2cc(-c3cc(C)c4nc(C5(F)CCN(C(=O)OC(C)(C)C)CC5)[nH]c(=O)c4n3)cc(F)c2n1.

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

The InChIKey is GQADDHYNMUHZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N6O3/c1-14-10-18(16-11-17(27)21-29-15(2)12-34(21)13-16)30-20-19(14)31-23(32-22(20)35)26(28)6-8-33(9-7-26)24(36)37-25(3,4)5/h10-13H,6-9H2,1-5H3,(H,31,32,35).

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

tert-butyl 4-fluoro-4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-methyl-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl]piperidine-1-carboxylate has a molecular weight of 510.55 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-fluoro-4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-methyl-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 153382061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).