tert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methylidene]azetidine-1-carboxylate

C17H21N3O2 — CID 167204306

IUPACtert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methylidene]azetidine-1-carboxylate
SMILESCc1cncc2[nH]cc(C=C3CN(C(=O)OC(C)(C)C)C3)c12
InChIInChI=1S/C17H21N3O2/c1-11-6-18-8-14-15(11)13(7-19-14)5-12-9-20(10-12)16(21)22-17(2,3)4/h5-8,19H,9-10H2,1-4H3
InChIKeyBGBBRQTZRSFVLD-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.51
Rot. Bonds1

About tert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methylidene]azetidine-1-carboxylate

tert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methylidene]azetidine-1-carboxylate (PubChem CID 167204306) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is tert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methylidene]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methylidene]azetidine-1-carboxylate
PubChem CID167204306
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Nametert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methylidene]azetidine-1-carboxylate
SMILESCc1cncc2[nH]cc(C=C3CN(C(=O)OC(C)(C)C)C3)c12
InChIInChI=1S/C17H21N3O2/c1-11-6-18-8-14-15(11)13(7-19-14)5-12-9-20(10-12)16(21)22-17(2,3)4/h5-8,19H,9-10H2,1-4H3
InChIKeyBGBBRQTZRSFVLD-UHFFFAOYSA-N
XLogP3.51
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methylidene]azetidine-1-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 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]azetidine-1-carboxylate
CID 167204711
tert-butyl 3-[(4-bromo-2,5-dimethylphenyl)methylidene]azetidine-1-carboxylate
CID 163263064
tert-butyl 3-[[2-(trifluoromethyl)phenyl]methylidene]azetidine-1-carboxylate
CID 68851855
tert-butyl 3-[[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]methylidene]azetidine-1-carboxylate
CID 178111885
tert-butyl 4-(3-formyl-1H-indol-4-yl)piperazine-1-carboxylate
CID 87356354
tert-butyl 4-(3,4-dimethyl-1H-indol-5-yl)piperidine-1-carboxylate
CID 142594147
tert-butyl 3-[(4-amino-2,6-difluorophenyl)methylidene]azetidine-1-carboxylate
CID 118903327
tert-butyl 4-(piperidin-4-ylidenemethyl)-1,3-dihydroisoindole-2-carboxylate
CID 177221301
tert-butyl 4-[(5-methyl-3-pyridinyl)oxy]piperidine-1-carboxylate
CID 145472944
tert-butyl 3-hydroxy-3-(5-methyl-3-pyridinyl)azetidine-1-carboxylate
CID 115373753
tert-butyl 4-(5-bromo-4-methylpyridine-3-carbonyl)piperazine-1-carboxylate
CID 168678188
tert-butyl (3E,5E)-3,5-bis[(2,6-dimethylphenyl)methylidene]-4-oxopiperidine-1-carboxylate
CID 162395339

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methylidene]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methylidene]azetidine-1-carboxylate (CID 167204306) is tert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methylidene]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methylidene]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methylidene]azetidine-1-carboxylate is Cc1cncc2[nH]cc(C=C3CN(C(=O)OC(C)(C)C)C3)c12.
What is the InChIKey of tert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methylidene]azetidine-1-carboxylate?
The InChIKey is BGBBRQTZRSFVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-6-18-8-14-15(11)13(7-19-14)5-12-9-20(10-12)16(21)22-17(2,3)4/h5-8,19H,9-10H2,1-4H3.
What are the key properties of tert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methylidene]azetidine-1-carboxylate?
tert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methylidene]azetidine-1-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methylidene]azetidine-1-carboxylate is sourced from PubChem (CID 167204306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).