tert-butyl N-[4-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate

C23H29N5O2 — CID 170777927

IUPACtert-butyl N-[4-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCn1cc(-c2cnc3ccccc3n2)c(C2CC2)n1
InChIInChI=1S/C23H29N5O2/c1-23(2,3)30-22(29)24-12-6-7-13-28-15-17(21(27-28)16-10-11-16)20-14-25-18-8-4-5-9-19(18)26-20/h4-5,8-9,14-16H,6-7,10-13H2,1-3H3,(H,24,29)
InChIKeyCGYODOYPPAXREE-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.68
Rot. Bonds7

About tert-butyl N-[4-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate

tert-butyl N-[4-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate (PubChem CID 170777927) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is tert-butyl N-[4-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate
PubChem CID170777927
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Nametert-butyl N-[4-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCn1cc(-c2cnc3ccccc3n2)c(C2CC2)n1
InChIInChI=1S/C23H29N5O2/c1-23(2,3)30-22(29)24-12-6-7-13-28-15-17(21(27-28)16-10-11-16)20-14-25-18-8-4-5-9-19(18)26-20/h4-5,8-9,14-16H,6-7,10-13H2,1-3H3,(H,24,29)
InChIKeyCGYODOYPPAXREE-UHFFFAOYSA-N
XLogP4.68
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[4-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)butyl]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

tert-butyl N-[6-[3-cyclopropyl-4-[7-(1-methylpiperidin-4-yl)quinoxalin-2-yl]pyrazol-1-yl]hexyl]carbamate
CID 170778088
tert-butyl N-[4-(4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate
CID 170778380
CID 154687839
CID 154687839
2-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]acetamide
CID 170548086
tert-butyl N-(4-imidazo[4,5-b]pyridin-3-ylbutyl)carbamate
CID 23562613
1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyrazole-4-carboxylic acid
CID 162677574
tert-butyl N-[3-[5-chloro-6-(2-fluorophenyl)indazol-2-yl]propyl]carbamate
CID 172698350
tert-butyl N-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
CID 86668284
tert-butyl N-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]carbamate
CID 169092427
tert-butyl N-(1-benzyl-3-cyclopropylpyrazol-4-yl)carbamate
CID 146254523
tert-butyl N-[2-[4-(7-bromoquinoxalin-2-yl)pyrazol-1-yl]ethyl]carbamate
CID 146020705
tert-butyl N-[4-(acridin-9-ylamino)butyl]carbamate
CID 11291507

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate?
The IUPAC name of tert-butyl N-[4-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate (CID 170777927) is tert-butyl N-[4-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate is CC(C)(C)OC(=O)NCCCCn1cc(-c2cnc3ccccc3n2)c(C2CC2)n1.
What is the InChIKey of tert-butyl N-[4-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate?
The InChIKey is CGYODOYPPAXREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-23(2,3)30-22(29)24-12-6-7-13-28-15-17(21(27-28)16-10-11-16)20-14-25-18-8-4-5-9-19(18)26-20/h4-5,8-9,14-16H,6-7,10-13H2,1-3H3,(H,24,29).
What are the key properties of tert-butyl N-[4-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate?
tert-butyl N-[4-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate has a molecular weight of 407.52 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(3-cyclopropyl-4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate is sourced from PubChem (CID 170777927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).