tert-butyl 4-[6-(aminomethylideneamino)-3-pyridinyl]piperazine-1-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine

C25H35N7O2 — CID 172601521

IUPACtert-butyl 4-[6-(aminomethylideneamino)-3-pyridinyl]piperazine-1-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(/N=C/N)nc2)CC1.Cc1cc(C)c2nc(C)cn2c1
InChIInChI=1S/C15H23N5O2.C10H12N2/c1-15(2,3)22-14(21)20-8-6-19(7-9-20)12-4-5-13(17-10-12)18-11-16;1-7-4-8(2)10-11-9(3)6-12(10)5-7/h4-5,10-11H,6-9H2,1-3H3,(H2,16,17,18);4-6H,1-3H3
InChIKeyGQATXOVKAVHNHH-UHFFFAOYSA-N
MW465.60 g/mol
LogP4.02
Rot. Bonds2

About tert-butyl 4-[6-(aminomethylideneamino)-3-pyridinyl]piperazine-1-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine

tert-butyl 4-[6-(aminomethylideneamino)-3-pyridinyl]piperazine-1-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine (PubChem CID 172601521) has the molecular formula C25H35N7O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is tert-butyl 4-[6-(aminomethylideneamino)-3-pyridinyl]piperazine-1-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Nametert-butyl 4-[6-(aminomethylideneamino)-3-pyridinyl]piperazine-1-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine
PubChem CID172601521
Molecular FormulaC25H35N7O2
Molecular Weight465.60 g/mol
Exact Mass465.29
IUPAC Nametert-butyl 4-[6-(aminomethylideneamino)-3-pyridinyl]piperazine-1-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(/N=C/N)nc2)CC1.Cc1cc(C)c2nc(C)cn2c1
InChIInChI=1S/C15H23N5O2.C10H12N2/c1-15(2,3)22-14(21)20-8-6-19(7-9-20)12-4-5-13(17-10-12)18-11-16;1-7-4-8(2)10-11-9(3)6-12(10)5-7/h4-5,10-11H,6-9H2,1-3H3,(H2,16,17,18);4-6H,1-3H3
InChIKeyGQATXOVKAVHNHH-UHFFFAOYSA-N
XLogP4.02
TPSA101.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[6-[[amino-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)methylidene]amino]-3-pyridinyl]-1,4-diazepane-1-carboxylate
CID 172601505
tert-butyl 4-[6-[1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)ethenylamino]-3-pyridinyl]piperazine-1-carboxylate
CID 168888330
tert-butyl 4-[6-[(Z)-[amino-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)methylidene]amino]-5-fluoro-3-pyridinyl]piperazine-1-carboxylate
CID 172601560
tert-butyl 4-(4-methylphenyl)piperazine-1-carboxylate;methane
CID 167653835
tert-butyl 4-[5-chloro-7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-1,8-naphthyridin-3-yl]piperazine-1-carboxylate
CID 168978654
tert-butyl 3-[6-[[amino-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)methylidene]amino]-3-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 172601531
tert-butyl 4-[4-(4-methylpyrazol-1-yl)phenyl]piperazine-1-carboxylate
CID 138498080
tert-butyl 4-(6-methylimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylate
CID 10425966
tert-butyl 4-[4-(aminomethylideneamino)-5-bromopyrimidin-2-yl]piperazine-1-carboxylate
CID 122502392
tert-butyl 4-(6-pyrrolidin-1-yl-3-pyridinyl)-1,4-diazepane-1-carboxylate
CID 22478457
tert-butyl 4-(4-chloro-3-methylphenyl)piperazine-1-carboxylate;ethane
CID 143766632
tert-butyl 4-(4-ethenyl-3-methylphenyl)piperazine-1-carboxylate
CID 144819263

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-(aminomethylideneamino)-3-pyridinyl]piperazine-1-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine?
The IUPAC name of tert-butyl 4-[6-(aminomethylideneamino)-3-pyridinyl]piperazine-1-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine (CID 172601521) is tert-butyl 4-[6-(aminomethylideneamino)-3-pyridinyl]piperazine-1-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine.
What is the SMILES notation for tert-butyl 4-[6-(aminomethylideneamino)-3-pyridinyl]piperazine-1-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine?
The canonical SMILES for tert-butyl 4-[6-(aminomethylideneamino)-3-pyridinyl]piperazine-1-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine is CC(C)(C)OC(=O)N1CCN(c2ccc(/N=C/N)nc2)CC1.Cc1cc(C)c2nc(C)cn2c1.
What is the InChIKey of tert-butyl 4-[6-(aminomethylideneamino)-3-pyridinyl]piperazine-1-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine?
The InChIKey is GQATXOVKAVHNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2.C10H12N2/c1-15(2,3)22-14(21)20-8-6-19(7-9-20)12-4-5-13(17-10-12)18-11-16;1-7-4-8(2)10-11-9(3)6-12(10)5-7/h4-5,10-11H,6-9H2,1-3H3,(H2,16,17,18);4-6H,1-3H3.
What are the key properties of tert-butyl 4-[6-(aminomethylideneamino)-3-pyridinyl]piperazine-1-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine?
tert-butyl 4-[6-(aminomethylideneamino)-3-pyridinyl]piperazine-1-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine has a molecular weight of 465.60 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-(aminomethylideneamino)-3-pyridinyl]piperazine-1-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine is sourced from PubChem (CID 172601521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).