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

C20H19N5O2 — CID 170937559

IUPACmethyl 3-(benzylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cnc(C)[nH]3)c(NCc3ccccc3)n2c1
InChIInChI=1S/C20H19N5O2/c1-13-21-11-16(23-13)18-19(22-10-14-6-4-3-5-7-14)25-12-15(20(26)27-2)8-9-17(25)24-18/h3-9,11-12,22H,10H2,1-2H3,(H,21,23)
InChIKeySRRONWCCEYXJRY-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.43
Rot. Bonds5

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

methyl 3-(benzylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 170937559) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is methyl 3-(benzylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(benzylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID170937559
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Namemethyl 3-(benzylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cnc(C)[nH]3)c(NCc3ccccc3)n2c1
InChIInChI=1S/C20H19N5O2/c1-13-21-11-16(23-13)18-19(22-10-14-6-4-3-5-7-14)25-12-15(20(26)27-2)8-9-17(25)24-18/h3-9,11-12,22H,10H2,1-2H3,(H,21,23)
InChIKeySRRONWCCEYXJRY-UHFFFAOYSA-N
XLogP3.43
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(benzylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-(benzylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate (CID 170937559) is methyl 3-(benzylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-(benzylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-(benzylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3cnc(C)[nH]3)c(NCc3ccccc3)n2c1.
What is the InChIKey of methyl 3-(benzylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is SRRONWCCEYXJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13-21-11-16(23-13)18-19(22-10-14-6-4-3-5-7-14)25-12-15(20(26)27-2)8-9-17(25)24-18/h3-9,11-12,22H,10H2,1-2H3,(H,21,23).
What are the key properties of methyl 3-(benzylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 3-(benzylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 361.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(benzylamino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 170937559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).