tert-butyl 4-[4-[8-[4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate

C32H38N6O3 — CID 59392640

IUPACtert-butyl 4-[4-[8-[4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc4cccc(-c5ccc(CN6CCOCC6)cc5)c4n3)cn2)CC1
InChIInChI=1S/C32H38N6O3/c1-32(2,3)41-31(39)37-13-11-26(12-14-37)38-22-25(19-34-38)29-20-33-28-6-4-5-27(30(28)35-29)24-9-7-23(8-10-24)21-36-15-17-40-18-16-36/h4-10,19-20,22,26H,11-18,21H2,1-3H3
InChIKeyHJAIFEPCIGXONI-UHFFFAOYSA-N
MW554.70 g/mol
LogP5.56
Rot. Bonds5

About tert-butyl 4-[4-[8-[4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-[8-[4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate (PubChem CID 59392640) has the molecular formula C32H38N6O3 and a molecular weight of 554.70 g/mol. Its IUPAC name is tert-butyl 4-[4-[8-[4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[8-[4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate
PubChem CID59392640
Molecular FormulaC32H38N6O3
Molecular Weight554.70 g/mol
Exact Mass554.30
IUPAC Nametert-butyl 4-[4-[8-[4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc4cccc(-c5ccc(CN6CCOCC6)cc5)c4n3)cn2)CC1
InChIInChI=1S/C32H38N6O3/c1-32(2,3)41-31(39)37-13-11-26(12-14-37)38-22-25(19-34-38)29-20-33-28-6-4-5-27(30(28)35-29)24-9-7-23(8-10-24)21-36-15-17-40-18-16-36/h4-10,19-20,22,26H,11-18,21H2,1-3H3
InChIKeyHJAIFEPCIGXONI-UHFFFAOYSA-N
XLogP5.56
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.70
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[4-[8-[4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidine-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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[8-[4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[8-[4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate (CID 59392640) is tert-butyl 4-[4-[8-[4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[8-[4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[8-[4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc4cccc(-c5ccc(CN6CCOCC6)cc5)c4n3)cn2)CC1.
What is the InChIKey of tert-butyl 4-[4-[8-[4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate?
The InChIKey is HJAIFEPCIGXONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N6O3/c1-32(2,3)41-31(39)37-13-11-26(12-14-37)38-22-25(19-34-38)29-20-33-28-6-4-5-27(30(28)35-29)24-9-7-23(8-10-24)21-36-15-17-40-18-16-36/h4-10,19-20,22,26H,11-18,21H2,1-3H3.
What are the key properties of tert-butyl 4-[4-[8-[4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-[8-[4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate has a molecular weight of 554.70 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[8-[4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 59392640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).