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

C17H20N4O3 — CID 142350855

IUPACmethyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(-n2cnc(C3CC3)c2)c(N2CCOCC2)cn1
InChIInChI=1S/C17H20N4O3/c1-23-17(22)13-8-15(21-10-14(19-11-21)12-2-3-12)16(9-18-13)20-4-6-24-7-5-20/h8-12H,2-7H2,1H3
InChIKeyJKQKCJTWAYHAHP-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.77
Rot. Bonds4

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

methyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate (PubChem CID 142350855) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate
PubChem CID142350855
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Namemethyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(-n2cnc(C3CC3)c2)c(N2CCOCC2)cn1
InChIInChI=1S/C17H20N4O3/c1-23-17(22)13-8-15(21-10-14(19-11-21)12-2-3-12)16(9-18-13)20-4-6-24-7-5-20/h8-12H,2-7H2,1H3
InChIKeyJKQKCJTWAYHAHP-UHFFFAOYSA-N
XLogP1.77
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate?
The IUPAC name of methyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate (CID 142350855) is methyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate?
The canonical SMILES for methyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate is COC(=O)c1cc(-n2cnc(C3CC3)c2)c(N2CCOCC2)cn1.
What is the InChIKey of methyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate?
The InChIKey is JKQKCJTWAYHAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-17(22)13-8-15(21-10-14(19-11-21)12-2-3-12)16(9-18-13)20-4-6-24-7-5-20/h8-12H,2-7H2,1H3.
What are the key properties of methyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate?
methyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-cyclopropylimidazol-1-yl)-5-morpholin-4-ylpyridine-2-carboxylate is sourced from PubChem (CID 142350855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).