tert-butyl (2R,4S)-4-(3,4-dimethylpyrrolo[3,2-c]pyridin-1-yl)-2-(methoxymethyl)pyrrolidine-1-carboxylate

C20H29N3O3 — CID 162382080

IUPACtert-butyl (2R,4S)-4-(3,4-dimethylpyrrolo[3,2-c]pyridin-1-yl)-2-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCOC[C@H]1C[C@H](n2cc(C)c3c(C)nccc32)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C20H29N3O3/c1-13-10-22(17-7-8-21-14(2)18(13)17)15-9-16(12-25-6)23(11-15)19(24)26-20(3,4)5/h7-8,10,15-16H,9,11-12H2,1-6H3/t15-,16+/m0/s1
InChIKeyQIRHSJBFNZODAQ-JKSUJKDBSA-N
MW359.47 g/mol
LogP3.85
Rot. Bonds3

About tert-butyl (2R,4S)-4-(3,4-dimethylpyrrolo[3,2-c]pyridin-1-yl)-2-(methoxymethyl)pyrrolidine-1-carboxylate

tert-butyl (2R,4S)-4-(3,4-dimethylpyrrolo[3,2-c]pyridin-1-yl)-2-(methoxymethyl)pyrrolidine-1-carboxylate (PubChem CID 162382080) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is tert-butyl (2R,4S)-4-(3,4-dimethylpyrrolo[3,2-c]pyridin-1-yl)-2-(methoxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4S)-4-(3,4-dimethylpyrrolo[3,2-c]pyridin-1-yl)-2-(methoxymethyl)pyrrolidine-1-carboxylate
PubChem CID162382080
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Nametert-butyl (2R,4S)-4-(3,4-dimethylpyrrolo[3,2-c]pyridin-1-yl)-2-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCOC[C@H]1C[C@H](n2cc(C)c3c(C)nccc32)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C20H29N3O3/c1-13-10-22(17-7-8-21-14(2)18(13)17)15-9-16(12-25-6)23(11-15)19(24)26-20(3,4)5/h7-8,10,15-16H,9,11-12H2,1-6H3/t15-,16+/m0/s1
InChIKeyQIRHSJBFNZODAQ-JKSUJKDBSA-N
XLogP3.85
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2R,4S)-4-(3,4-dimethylpyrrolo[3,2-c]pyridin-1-yl)-2-(methoxymethyl)pyrrolidine-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 (2R)-4-(4-amino-3-iodopyrazolo[4,3-c]pyridin-1-yl)-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 162381998
tert-butyl (2R,4S)-4-[4-chloro-3-[2-(1-cyclopropylbenzimidazol-5-yl)ethynyl]pyrrolo[3,2-c]pyridin-1-yl]-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 162382424
tert-butyl (2R,4S)-4-bromo-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 155904962
tert-butyl 4-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 25001212
tert-butyl (2R,4S)-4-[4-amino-3-(2-trimethylsilylethynyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 162382313
tert-butyl (2R)-4-[4-amino-3-(2-trimethylsilylethynyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 174150857
3-O-benzyl 1-O-tert-butyl 5-(methoxymethyl)pyrrolidine-1,3-dicarboxylate
CID 20723877
tert-butyl (2R)-4-(3,5-dibromo-4-cyanopyrazol-1-yl)-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 162381121
tert-butyl 2-(methoxymethyl)-4-methylsulfinyloxypyrrolidine-1-carboxylate
CID 67033711
tert-butyl (2S)-4-(3,5-dimethyl-2-pyridinyl)-2-(methoxymethyl)piperazine-1-carboxylate
CID 134494661
tert-butyl (2R,4S)-4-(3-bromo-4-cyano-5-formamidopyrazol-1-yl)-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 162380619
tert-butyl (2S,4R)-2-(methoxymethyl)-4-[4-oxo-2-[2-(trifluoromethoxy)phenyl]-6H-pyrrolo[3,4-d][1,3]thiazol-5-yl]pyrrolidine-1-carboxylate
CID 178131631

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4S)-4-(3,4-dimethylpyrrolo[3,2-c]pyridin-1-yl)-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4S)-4-(3,4-dimethylpyrrolo[3,2-c]pyridin-1-yl)-2-(methoxymethyl)pyrrolidine-1-carboxylate (CID 162382080) is tert-butyl (2R,4S)-4-(3,4-dimethylpyrrolo[3,2-c]pyridin-1-yl)-2-(methoxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4S)-4-(3,4-dimethylpyrrolo[3,2-c]pyridin-1-yl)-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4S)-4-(3,4-dimethylpyrrolo[3,2-c]pyridin-1-yl)-2-(methoxymethyl)pyrrolidine-1-carboxylate is COC[C@H]1C[C@H](n2cc(C)c3c(C)nccc32)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4S)-4-(3,4-dimethylpyrrolo[3,2-c]pyridin-1-yl)-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is QIRHSJBFNZODAQ-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-13-10-22(17-7-8-21-14(2)18(13)17)15-9-16(12-25-6)23(11-15)19(24)26-20(3,4)5/h7-8,10,15-16H,9,11-12H2,1-6H3/t15-,16+/m0/s1.
What are the key properties of tert-butyl (2R,4S)-4-(3,4-dimethylpyrrolo[3,2-c]pyridin-1-yl)-2-(methoxymethyl)pyrrolidine-1-carboxylate?
tert-butyl (2R,4S)-4-(3,4-dimethylpyrrolo[3,2-c]pyridin-1-yl)-2-(methoxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 359.47 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4S)-4-(3,4-dimethylpyrrolo[3,2-c]pyridin-1-yl)-2-(methoxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 162382080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).