tert-butyl 4-[5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate

C23H25FN6O3 — CID 56591450

IUPACtert-butyl 4-[5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2c(=O)[nH]c3ccc(-c4cnc5ccc(F)cn45)nc32)CC1
InChIInChI=1S/C23H25FN6O3/c1-23(2,3)33-22(32)28-10-8-15(9-11-28)30-20-17(27-21(30)31)6-5-16(26-20)18-12-25-19-7-4-14(24)13-29(18)19/h4-7,12-13,15H,8-11H2,1-3H3,(H,27,31)
InChIKeyYVUOWMPOKHUVDK-UHFFFAOYSA-N
MW452.49 g/mol
LogP3.75
Rot. Bonds2

About tert-butyl 4-[5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate

tert-butyl 4-[5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate (PubChem CID 56591450) has the molecular formula C23H25FN6O3 and a molecular weight of 452.49 g/mol. Its IUPAC name is tert-butyl 4-[5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate
PubChem CID56591450
Molecular FormulaC23H25FN6O3
Molecular Weight452.49 g/mol
Exact Mass452.20
IUPAC Nametert-butyl 4-[5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2c(=O)[nH]c3ccc(-c4cnc5ccc(F)cn45)nc32)CC1
InChIInChI=1S/C23H25FN6O3/c1-23(2,3)33-22(32)28-10-8-15(9-11-28)30-20-17(27-21(30)31)6-5-16(26-20)18-12-25-19-7-4-14(24)13-29(18)19/h4-7,12-13,15H,8-11H2,1-3H3,(H,27,31)
InChIKeyYVUOWMPOKHUVDK-UHFFFAOYSA-N
XLogP3.75
TPSA97.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate (CID 56591450) is tert-butyl 4-[5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2c(=O)[nH]c3ccc(-c4cnc5ccc(F)cn45)nc32)CC1.
What is the InChIKey of tert-butyl 4-[5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate?
The InChIKey is YVUOWMPOKHUVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O3/c1-23(2,3)33-22(32)28-10-8-15(9-11-28)30-20-17(27-21(30)31)6-5-16(26-20)18-12-25-19-7-4-14(24)13-29(18)19/h4-7,12-13,15H,8-11H2,1-3H3,(H,27,31).
What are the key properties of tert-butyl 4-[5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate has a molecular weight of 452.49 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 56591450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).