tert-butyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazine-1-carboxylate

C20H26N6O4 — CID 167106508

IUPACtert-butyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cccn3c(N4CCC(=O)NC4=O)cnc23)CC1
InChIInChI=1S/C20H26N6O4/c1-20(2,3)30-19(29)24-11-9-23(10-12-24)14-5-4-7-25-16(13-21-17(14)25)26-8-6-15(27)22-18(26)28/h4-5,7,13H,6,8-12H2,1-3H3,(H,22,27,28)
InChIKeyRGVAFWRWUPHMFP-UHFFFAOYSA-N
MW414.47 g/mol
LogP1.84
Rot. Bonds2

About tert-butyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazine-1-carboxylate

tert-butyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazine-1-carboxylate (PubChem CID 167106508) has the molecular formula C20H26N6O4 and a molecular weight of 414.47 g/mol. Its IUPAC name is tert-butyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazine-1-carboxylate
PubChem CID167106508
Molecular FormulaC20H26N6O4
Molecular Weight414.47 g/mol
Exact Mass414.20
IUPAC Nametert-butyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cccn3c(N4CCC(=O)NC4=O)cnc23)CC1
InChIInChI=1S/C20H26N6O4/c1-20(2,3)30-19(29)24-11-9-23(10-12-24)14-5-4-7-25-16(13-21-17(14)25)26-8-6-15(27)22-18(26)28/h4-5,7,13H,6,8-12H2,1-3H3,(H,22,27,28)
InChIKeyRGVAFWRWUPHMFP-UHFFFAOYSA-N
XLogP1.84
TPSA99.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[3-(4-methylidene-2-oxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazine-1-carboxylate
CID 163399931
tert-butyl 4-[4-(2,4-dioxo-1,3-diazinan-1-yl)isoquinolin-8-yl]piperazine-1-carboxylate;ethane
CID 170749639
tert-butyl 4-[4-(2,4-dioxo-1,3-diazinan-1-yl)isoquinolin-8-yl]piperazine-1-carboxylate;ethane
CID 170749712
ethane;1-(8-ethylimidazo[1,2-a]pyridin-3-yl)-1,3-diazinane-2,4-dione
CID 156795368
tert-butyl 4-[4-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindol-7-yl]piperazine-1-carboxylate
CID 163231147
tert-butyl 4-[5-(2,4-dioxo-1,3-diazinan-1-yl)naphthalen-2-yl]piperazine-1-carboxylate
CID 171572299
tert-butyl 4-[3-chloro-4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperazine-1-carboxylate
CID 175959318
tert-butyl 4-[2-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidine-1-carboxylate
CID 178099092
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 131739918
tert-butyl 4-[3-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3-diazinan-1-yl]-8-methylimidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate
CID 163400327
tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 166113298
tert-butyl 4-[1-(2-methoxyethyl)-2-oxo-3-pyridinyl]piperazine-1-carboxylate
CID 178099214

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazine-1-carboxylate (CID 167106508) is tert-butyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2cccn3c(N4CCC(=O)NC4=O)cnc23)CC1.
What is the InChIKey of tert-butyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazine-1-carboxylate?
The InChIKey is RGVAFWRWUPHMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O4/c1-20(2,3)30-19(29)24-11-9-23(10-12-24)14-5-4-7-25-16(13-21-17(14)25)26-8-6-15(27)22-18(26)28/h4-5,7,13H,6,8-12H2,1-3H3,(H,22,27,28).
What are the key properties of tert-butyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazine-1-carboxylate?
tert-butyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazine-1-carboxylate has a molecular weight of 414.47 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazine-1-carboxylate is sourced from PubChem (CID 167106508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).