tert-butyl 2-(4-pyridin-2-yl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate

C23H27N3O3 — CID 175217445

IUPACtert-butyl 2-(4-pyridin-2-yl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C(=O)N1CCc2c(-c3ccccn3)cccc21
InChIInChI=1S/C23H27N3O3/c1-23(2,3)29-22(28)26-14-7-11-20(26)21(27)25-15-12-17-16(8-6-10-19(17)25)18-9-4-5-13-24-18/h4-6,8-10,13,20H,7,11-12,14-15H2,1-3H3
InChIKeyMSLHCDRTOQWDMG-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.04
Rot. Bonds2

About tert-butyl 2-(4-pyridin-2-yl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate

tert-butyl 2-(4-pyridin-2-yl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate (PubChem CID 175217445) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is tert-butyl 2-(4-pyridin-2-yl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(4-pyridin-2-yl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate
PubChem CID175217445
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Nametert-butyl 2-(4-pyridin-2-yl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C(=O)N1CCc2c(-c3ccccn3)cccc21
InChIInChI=1S/C23H27N3O3/c1-23(2,3)29-22(28)26-14-7-11-20(26)21(27)25-15-12-17-16(8-6-10-19(17)25)18-9-4-5-13-24-18/h4-6,8-10,13,20H,7,11-12,14-15H2,1-3H3
InChIKeyMSLHCDRTOQWDMG-UHFFFAOYSA-N
XLogP4.04
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-(4-pyridin-2-yl-2,3-dihydroindole-1-carbonyl)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 (2S)-2-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate
CID 140885141
tert-butyl (2S)-2-(2-pyridin-2-ylacetyl)pyrrolidine-1-carboxylate
CID 93481126
tert-butyl (2S)-2-pyridin-2-ylsulfanylcarbonylpyrrolidine-1-carboxylate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 158451373
2-[4-(2-aminopyrimidin-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile
CID 175219682
1-O-tert-butyl 2-O-(1,3-dioxoisoindol-2-yl) pyrrolidine-1,2-dicarboxylate
CID 132533225
tert-butyl 2-(1,3-oxazole-2-carbonyl)pyrrolidine-1-carboxylate
CID 175539338
tert-butyl (2R)-2-(1-methoxy-1-pyridin-2-ylethyl)pyrrolidine-1-carboxylate
CID 177219731
tert-butyl (2S)-2-(indole-1-carbonyl)pyrrolidine-1-carboxylate
CID 177394660
tert-butyl 2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)azetidine-1-carboxylate
CID 121248826
tert-butyl (2S)-2-(quinolin-8-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 69444585
tert-butyl (2S)-2-benzoylazetidine-1-carboxylate
CID 137368495
tert-butyl (2R)-2-[(pyridin-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 97172694

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-pyridin-2-yl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(4-pyridin-2-yl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate (CID 175217445) is tert-butyl 2-(4-pyridin-2-yl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(4-pyridin-2-yl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(4-pyridin-2-yl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1C(=O)N1CCc2c(-c3ccccn3)cccc21.
What is the InChIKey of tert-butyl 2-(4-pyridin-2-yl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate?
The InChIKey is MSLHCDRTOQWDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-23(2,3)29-22(28)26-14-7-11-20(26)21(27)25-15-12-17-16(8-6-10-19(17)25)18-9-4-5-13-24-18/h4-6,8-10,13,20H,7,11-12,14-15H2,1-3H3.
What are the key properties of tert-butyl 2-(4-pyridin-2-yl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(4-pyridin-2-yl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate has a molecular weight of 393.49 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-pyridin-2-yl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 175217445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).