butyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate

C20H26N4O3 — CID 139581211

IUPACbutyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate
SMILESCCCCOC(=O)c1cc(-n2cnc(C3CC3)c2)c(N2CCOCC2)cn1
InChIInChI=1S/C20H26N4O3/c1-2-3-8-27-20(25)16-11-18(24-13-17(22-14-24)15-4-5-15)19(12-21-16)23-6-9-26-10-7-23/h11-15H,2-10H2,1H3
InChIKeyRCSZDYYOVKOPHK-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.94
Rot. Bonds7

About butyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate

butyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate (PubChem CID 139581211) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is butyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate.

Molecular Properties

Compound Namebutyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate
PubChem CID139581211
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Namebutyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate
SMILESCCCCOC(=O)c1cc(-n2cnc(C3CC3)c2)c(N2CCOCC2)cn1
InChIInChI=1S/C20H26N4O3/c1-2-3-8-27-20(25)16-11-18(24-13-17(22-14-24)15-4-5-15)19(12-21-16)23-6-9-26-10-7-23/h11-15H,2-10H2,1H3
InChIKeyRCSZDYYOVKOPHK-UHFFFAOYSA-N
XLogP2.94
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze butyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-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 butyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate?
The IUPAC name of butyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate (CID 139581211) is butyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate.
What is the SMILES notation for butyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate?
The canonical SMILES for butyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate is CCCCOC(=O)c1cc(-n2cnc(C3CC3)c2)c(N2CCOCC2)cn1.
What is the InChIKey of butyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate?
The InChIKey is RCSZDYYOVKOPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-2-3-8-27-20(25)16-11-18(24-13-17(22-14-24)15-4-5-15)19(12-21-16)23-6-9-26-10-7-23/h11-15H,2-10H2,1H3.
What are the key properties of butyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate?
butyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate has a molecular weight of 370.45 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate is sourced from PubChem (CID 139581211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).