tert-butyl 1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridine-3-carboxylate

C15H19N3O3 — CID 18334928

IUPACtert-butyl 1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)n1c(=O)n(CC2CC2)c2ccncc21
InChIInChI=1S/C15H19N3O3/c1-15(2,3)21-14(20)18-12-8-16-7-6-11(12)17(13(18)19)9-10-4-5-10/h6-8,10H,4-5,9H2,1-3H3
InChIKeyHKNMXDTYDZNOQZ-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.39
Rot. Bonds2

About tert-butyl 1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridine-3-carboxylate

tert-butyl 1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridine-3-carboxylate (PubChem CID 18334928) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is tert-butyl 1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridine-3-carboxylate
PubChem CID18334928
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Nametert-butyl 1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)n1c(=O)n(CC2CC2)c2ccncc21
InChIInChI=1S/C15H19N3O3/c1-15(2,3)21-14(20)18-12-8-16-7-6-11(12)17(13(18)19)9-10-4-5-10/h6-8,10H,4-5,9H2,1-3H3
InChIKeyHKNMXDTYDZNOQZ-UHFFFAOYSA-N
XLogP2.39
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 1-[[1-(3-cyanopropyl)benzimidazol-2-yl]methyl]-2-oxoimidazo[4,5-c]pyridine-3-carboxylate
CID 18334926
tert-butyl 3-[(3-iodopyrazolo[4,3-c]pyridin-1-yl)methyl]azetidine-1-carboxylate
CID 164736270
tert-butyl 3-methyl-2-oxobenzimidazole-1-carboxylate
CID 154029435
tert-butyl 3-[(E)-3-(5-methyl-2-pyridinyl)prop-2-enyl]-2-oxobenzimidazole-1-carboxylate
CID 167524421
tert-butyl 4-(4-cyano-3-pyridinyl)piperidine-1-carboxylate
CID 175285098
tert-butyl 2-phenylpyrrolo[3,2-c]pyridine-1-carboxylate
CID 69193959
tert-butyl 11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8-carboxylate
CID 118010769
tert-butyl 4-(2-pyridin-4-ylethyl)piperidine-1-carboxylate
CID 174174191
tert-butyl 3-[3-(aminomethyl)-4-pyridinyl]pyrrolidine-1-carboxylate
CID 115051214
tert-butyl 3-[4-(1,3-dioxolan-2-yl)-3-pyridinyl]azetidine-1-carboxylate
CID 168981233
tert-butyl 3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
CID 170629812
tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 86336206

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridine-3-carboxylate?
The IUPAC name of tert-butyl 1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridine-3-carboxylate (CID 18334928) is tert-butyl 1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridine-3-carboxylate.
What is the SMILES notation for tert-butyl 1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridine-3-carboxylate?
The canonical SMILES for tert-butyl 1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridine-3-carboxylate is CC(C)(C)OC(=O)n1c(=O)n(CC2CC2)c2ccncc21.
What is the InChIKey of tert-butyl 1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridine-3-carboxylate?
The InChIKey is HKNMXDTYDZNOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-15(2,3)21-14(20)18-12-8-16-7-6-11(12)17(13(18)19)9-10-4-5-10/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of tert-butyl 1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridine-3-carboxylate?
tert-butyl 1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridine-3-carboxylate has a molecular weight of 289.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridine-3-carboxylate is sourced from PubChem (CID 18334928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).