tert-butyl 3-[(4-amino-2-methyl-2,3-dihydroindol-1-yl)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate

C22H26N4O2 — CID 123444073

IUPACtert-butyl 3-[(4-amino-2-methyl-2,3-dihydroindol-1-yl)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate
SMILESCC1Cc2c(N)cccc2N1Cc1cn(C(=O)OC(C)(C)C)c2ncccc12
InChIInChI=1S/C22H26N4O2/c1-14-11-17-18(23)8-5-9-19(17)25(14)12-15-13-26(21(27)28-22(2,3)4)20-16(15)7-6-10-24-20/h5-10,13-14H,11-12,23H2,1-4H3
InChIKeyFJTORNFOQBJHNL-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.35
Rot. Bonds2

About tert-butyl 3-[(4-amino-2-methyl-2,3-dihydroindol-1-yl)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate

tert-butyl 3-[(4-amino-2-methyl-2,3-dihydroindol-1-yl)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate (PubChem CID 123444073) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is tert-butyl 3-[(4-amino-2-methyl-2,3-dihydroindol-1-yl)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(4-amino-2-methyl-2,3-dihydroindol-1-yl)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate
PubChem CID123444073
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Nametert-butyl 3-[(4-amino-2-methyl-2,3-dihydroindol-1-yl)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate
SMILESCC1Cc2c(N)cccc2N1Cc1cn(C(=O)OC(C)(C)C)c2ncccc12
InChIInChI=1S/C22H26N4O2/c1-14-11-17-18(23)8-5-9-19(17)25(14)12-15-13-26(21(27)28-22(2,3)4)20-16(15)7-6-10-24-20/h5-10,13-14H,11-12,23H2,1-4H3
InChIKeyFJTORNFOQBJHNL-UHFFFAOYSA-N
XLogP4.35
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze tert-butyl 3-[(4-amino-2-methyl-2,3-dihydroindol-1-yl)methyl]pyrrolo[2,3-b]pyridine-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-(aminomethyl)pyrrolo[2,3-b]pyridine-1-carboxylate
CID 71748494
tert-butyl 3-(iodomethyl)pyrrolo[2,3-b]pyridine-1-carboxylate
CID 11132071
tert-butyl 3-[[4-(6-iodopyridazin-3-yl)piperazin-1-yl]methyl]pyrrolo[2,3-b]pyridine-1-carboxylate
CID 54478976
tert-butyl (2S)-2-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 122364870
tert-butyl 3-[3-methoxy-2-[(1-methyl-2,9-dihydro-1H-fluoren-9-yl)methoxycarbonylamino]-3-oxopropyl]pyrrolo[2,3-b]pyridine-1-carboxylate
CID 163698946
tert-butyl 3-[3-acetyloxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrolo[2,3-b]pyridine-1-carboxylate
CID 69227108
tert-butyl 4-(8-aminoquinolin-5-yl)piperidine-1-carboxylate
CID 178017330
tert-butyl 4-(5-aminoquinolin-8-yl)piperazine-1-carboxylate
CID 75537190
tert-butyl pyrido[2,3-b]indole-9-carboxylate
CID 141177264
tert-butyl 3-(aminomethyl)indole-1-carboxylate
CID 10999341
tert-butyl 3-iodo-7-pyrimidin-2-ylindole-1-carboxylate
CID 177277647
tert-butyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]indole-1-carboxylate
CID 11719273

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(4-amino-2-methyl-2,3-dihydroindol-1-yl)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(4-amino-2-methyl-2,3-dihydroindol-1-yl)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate (CID 123444073) is tert-butyl 3-[(4-amino-2-methyl-2,3-dihydroindol-1-yl)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(4-amino-2-methyl-2,3-dihydroindol-1-yl)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(4-amino-2-methyl-2,3-dihydroindol-1-yl)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate is CC1Cc2c(N)cccc2N1Cc1cn(C(=O)OC(C)(C)C)c2ncccc12.
What is the InChIKey of tert-butyl 3-[(4-amino-2-methyl-2,3-dihydroindol-1-yl)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate?
The InChIKey is FJTORNFOQBJHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14-11-17-18(23)8-5-9-19(17)25(14)12-15-13-26(21(27)28-22(2,3)4)20-16(15)7-6-10-24-20/h5-10,13-14H,11-12,23H2,1-4H3.
What are the key properties of tert-butyl 3-[(4-amino-2-methyl-2,3-dihydroindol-1-yl)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate?
tert-butyl 3-[(4-amino-2-methyl-2,3-dihydroindol-1-yl)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate has a molecular weight of 378.48 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(4-amino-2-methyl-2,3-dihydroindol-1-yl)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate is sourced from PubChem (CID 123444073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).