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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

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtert-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
SMILESCc1cn2cc(-c3cc(C)c4nc(C5(F)CCN(C(=O)OC(C)(C)C)CC5)[nH]c(=O)c4n3)cc(F)c2n1
InChIInChI=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)
InChIKeyGQADDHYNMUHZOO-UHFFFAOYSA-N
MW510.55 g/mol
LogP4.58
Rot. Bonds2

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 NameTert-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 CID153382061
Molecular FormulaC26H28F2N6O3
Molecular Weight510.55 g/mol
Exact Mass510.22
IUPAC Nametert-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
SMILESCc1cn2cc(-c3cc(C)c4nc(C5(F)CCN(C(=O)OC(C)(C)C)CC5)[nH]c(=O)c4n3)cc(F)c2n1
InChIInChI=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)
InChIKeyGQADDHYNMUHZOO-UHFFFAOYSA-N
XLogP4.58
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.55
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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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).

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