methyl 3-(cyclohexylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate

C19H23N5O2 — CID 154620335

IUPACmethyl 3-(cyclohexylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cnc(C)[nH]3)c(NC3CCCCC3)n2c1
InChIInChI=1S/C19H23N5O2/c1-12-20-10-15(21-12)17-18(22-14-6-4-3-5-7-14)24-11-13(19(25)26-2)8-9-16(24)23-17/h8-11,14,22H,3-7H2,1-2H3,(H,20,21)
InChIKeyALJSMYHJEFJBDA-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.56
Rot. Bonds4

About methyl 3-(cyclohexylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate

methyl 3-(cyclohexylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 154620335) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is methyl 3-(cyclohexylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(cyclohexylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID154620335
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Namemethyl 3-(cyclohexylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cnc(C)[nH]3)c(NC3CCCCC3)n2c1
InChIInChI=1S/C19H23N5O2/c1-12-20-10-15(21-12)17-18(22-14-6-4-3-5-7-14)24-11-13(19(25)26-2)8-9-16(24)23-17/h8-11,14,22H,3-7H2,1-2H3,(H,20,21)
InChIKeyALJSMYHJEFJBDA-UHFFFAOYSA-N
XLogP3.56
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclohexylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-(cyclohexylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate (CID 154620335) is methyl 3-(cyclohexylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-(cyclohexylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-(cyclohexylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3cnc(C)[nH]3)c(NC3CCCCC3)n2c1.
What is the InChIKey of methyl 3-(cyclohexylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is ALJSMYHJEFJBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12-20-10-15(21-12)17-18(22-14-6-4-3-5-7-14)24-11-13(19(25)26-2)8-9-16(24)23-17/h8-11,14,22H,3-7H2,1-2H3,(H,20,21).
What are the key properties of methyl 3-(cyclohexylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 3-(cyclohexylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 353.43 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclohexylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 154620335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).