tert-butyl N-[1-(6-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamate

C22H24N4O3 — CID 135142586

IUPACtert-butyl N-[1-(6-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CN(C(=O)c2cc3ccc(-c4cccnc4)cc3[nH]2)C1
InChIInChI=1S/C22H24N4O3/c1-22(2,3)29-21(28)24-17-12-26(13-17)20(27)19-10-15-7-6-14(9-18(15)25-19)16-5-4-8-23-11-16/h4-11,17,25H,12-13H2,1-3H3,(H,24,28)
InChIKeyMZDRRASRTPLGLA-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.58
Rot. Bonds3

About tert-butyl N-[1-(6-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamate

tert-butyl N-[1-(6-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamate (PubChem CID 135142586) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is tert-butyl N-[1-(6-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(6-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamate
PubChem CID135142586
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Nametert-butyl N-[1-(6-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CN(C(=O)c2cc3ccc(-c4cccnc4)cc3[nH]2)C1
InChIInChI=1S/C22H24N4O3/c1-22(2,3)29-21(28)24-17-12-26(13-17)20(27)19-10-15-7-6-14(9-18(15)25-19)16-5-4-8-23-11-16/h4-11,17,25H,12-13H2,1-3H3,(H,24,28)
InChIKeyMZDRRASRTPLGLA-UHFFFAOYSA-N
XLogP3.58
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-(6-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamate 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

[3-(4-imino-6,7-dimethoxy-2-methylsulfanylquinazolin-3-yl)azetidin-1-yl]-(6-pyridin-3-yl-1H-indol-2-yl)methanone
CID 135142636
tert-butyl N-[1-(5-bromo-1H-indole-2-carbonyl)piperidin-3-yl]carbamate
CID 170794976
tert-butyl N-[(3S)-1-[5-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]-1H-indole-2-carbonyl]pyrrolidin-3-yl]carbamate
CID 10257946
tert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate
CID 131747678
tert-butyl N-[2-methyl-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]carbamate
CID 133395581
tert-butyl N-(2-amino-4-pyridin-3-ylphenyl)carbamate
CID 67289423
5-hydroxy-1-(6-phenyl-1H-indole-2-carbonyl)piperidine-3-carboxylic acid
CID 167843616
(6-tert-butyl-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55597469
tert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate
CID 96548725
tert-butyl N-[3-[4-(5-methylpyrido[4,3-b]indol-7-yl)phenoxy]cyclobutyl]carbamate
CID 165371294
tert-butyl N-(1-pyrazin-2-ylazetidin-3-yl)carbamate
CID 66570422
tert-butyl 4-(6-hydroxy-1H-indole-2-carbonyl)piperazine-1-carboxylate
CID 164936659

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(6-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamate (CID 135142586) is tert-butyl N-[1-(6-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(6-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(6-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CN(C(=O)c2cc3ccc(-c4cccnc4)cc3[nH]2)C1.
What is the InChIKey of tert-butyl N-[1-(6-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamate?
The InChIKey is MZDRRASRTPLGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-22(2,3)29-21(28)24-17-12-26(13-17)20(27)19-10-15-7-6-14(9-18(15)25-19)16-5-4-8-23-11-16/h4-11,17,25H,12-13H2,1-3H3,(H,24,28).
What are the key properties of tert-butyl N-[1-(6-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamate?
tert-butyl N-[1-(6-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamate has a molecular weight of 392.46 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(6-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamate is sourced from PubChem (CID 135142586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).