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

C17H23N3O2 — CID 167204711

IUPACtert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]azetidine-1-carboxylate
SMILESCc1cncc2[nH]cc(CC3CN(C(=O)OC(C)(C)C)C3)c12
InChIInChI=1S/C17H23N3O2/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/h6-8,12,19H,5,9-10H2,1-4H3
InChIKeyOIQKOGMOQZVNCJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.28
Rot. Bonds2

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

tert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]azetidine-1-carboxylate (PubChem CID 167204711) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is tert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]azetidine-1-carboxylate
PubChem CID167204711
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Nametert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]azetidine-1-carboxylate
SMILESCc1cncc2[nH]cc(CC3CN(C(=O)OC(C)(C)C)C3)c12
InChIInChI=1S/C17H23N3O2/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/h6-8,12,19H,5,9-10H2,1-4H3
InChIKeyOIQKOGMOQZVNCJ-UHFFFAOYSA-N
XLogP3.28
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

tert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methylidene]azetidine-1-carboxylate
CID 167204306
tert-butyl 3-[(2-methylphenyl)methyl]azetidine-1-carboxylate
CID 156785826
tert-butyl 3-(1H-imidazol-2-ylmethyl)azetidine-1-carboxylate
CID 175251955
tert-butyl 4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxylate
CID 50999126
tert-butyl 3-[[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]methyl]azetidine-1-carboxylate
CID 178111804
tert-butyl 3-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
CID 102655561
tert-butyl 3-[(6-chloro-1H-indol-3-yl)methylamino]azetidine-1-carboxylate
CID 107241823
tert-butyl 4-[(5-iodo-1H-pyrazol-4-yl)methyl]piperidine-1-carboxylate
CID 121305491
tert-butyl 3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-1-carboxylate
CID 102655349
tert-butyl (3R,4R)-3-[(3,5-dimethyl-2-pyridinyl)amino]-4-hydroxypyrrolidine-1-carboxylate
CID 134494361
tert-butyl 3-[(4-ethoxycarbonylphenyl)methyl]azetidine-1-carboxylate
CID 90376661
tert-butyl 3-[[ethyl-[2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl]amino]methyl]azetidine-1-carboxylate;oxalic acid
CID 23283223

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]azetidine-1-carboxylate (CID 167204711) is tert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]azetidine-1-carboxylate is Cc1cncc2[nH]cc(CC3CN(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)methyl]azetidine-1-carboxylate?
The InChIKey is OIQKOGMOQZVNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/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/h6-8,12,19H,5,9-10H2,1-4H3.
What are the key properties of tert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]azetidine-1-carboxylate?
tert-butyl 3-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)methyl]azetidine-1-carboxylate has a molecular weight of 301.39 g/mol, XLogP of 3.28, 2 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)methyl]azetidine-1-carboxylate is sourced from PubChem (CID 167204711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).