methyl 2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate;2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylic acid

C39H48N10O6 — CID 159951639

IUPACmethyl 2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate;2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCC1=C(c2nc3ccc(C(=O)O)cn3c2NCCN2CCOCC2)CC=N1.COC(=O)c1ccc2nc(C3=C(C)N=CC3)c(NCCN3CCOCC3)n2c1
InChIInChI=1S/C20H25N5O3.C19H23N5O3/c1-14-16(5-6-21-14)18-19(22-7-8-24-9-11-28-12-10-24)25-13-15(20(26)27-2)3-4-17(25)23-18;1-13-15(4-5-20-13)17-18(21-6-7-23-8-10-27-11-9-23)24-12-14(19(25)26)2-3-16(24)22-17/h3-4,6,13,22H,5,7-12H2,1-2H3;2-3,5,12,21H,4,6-11H2,1H3,(H,25,26)
InChIKeyOCEPYAWYPFEAII-UHFFFAOYSA-N
MW752.88 g/mol
LogP4.05
Rot. Bonds12

About methyl 2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate;2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylic acid

methyl 2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate;2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 159951639) has the molecular formula C39H48N10O6 and a molecular weight of 752.88 g/mol. Its IUPAC name is methyl 2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate;2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Namemethyl 2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate;2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID159951639
Molecular FormulaC39H48N10O6
Molecular Weight752.88 g/mol
Exact Mass752.38
IUPAC Namemethyl 2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate;2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCC1=C(c2nc3ccc(C(=O)O)cn3c2NCCN2CCOCC2)CC=N1.COC(=O)c1ccc2nc(C3=C(C)N=CC3)c(NCCN3CCOCC3)n2c1
InChIInChI=1S/C20H25N5O3.C19H23N5O3/c1-14-16(5-6-21-14)18-19(22-7-8-24-9-11-28-12-10-24)25-13-15(20(26)27-2)3-4-17(25)23-18;1-13-15(4-5-20-13)17-18(21-6-7-23-8-10-27-11-9-23)24-12-14(19(25)26)2-3-16(24)22-17/h3-4,6,13,22H,5,7-12H2,1-2H3;2-3,5,12,21H,4,6-11H2,1H3,(H,25,26)
InChIKeyOCEPYAWYPFEAII-UHFFFAOYSA-N
XLogP4.05
TPSA171.92 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.88
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze methyl 2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate;2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylic acid with MolForge

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Related Compounds

6-bromo-2-(2-methyl-1H-imidazol-5-yl)-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridin-3-amine
CID 155524846
methyl 3-hydroxy-5-(2-morpholin-4-ylethylamino)benzoate
CID 163959263
methyl 4-[[2-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109301520
methyl 4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate
CID 66287425
hydrazinyl-[2-(5-methyl-1H-imidazol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridin-6-yl]methanol
CID 174193595
methyl 3-(2-morpholin-4-ylethylamino)-4-phenylmethoxybenzoate
CID 90211616
3-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117140382
methyl 4-[[6-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109344521
methyl 3-acetyl-2-methylimidazo[1,2-a]pyridine-6-carboxylate
CID 59176908
4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045886
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
methyl 2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-4-carboxylate
CID 113306717

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate;2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of methyl 2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate;2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylic acid (CID 159951639) is methyl 2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate;2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for methyl 2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate;2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for methyl 2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate;2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylic acid is CC1=C(c2nc3ccc(C(=O)O)cn3c2NCCN2CCOCC2)CC=N1.COC(=O)c1ccc2nc(C3=C(C)N=CC3)c(NCCN3CCOCC3)n2c1.
What is the InChIKey of methyl 2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate;2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is OCEPYAWYPFEAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3.C19H23N5O3/c1-14-16(5-6-21-14)18-19(22-7-8-24-9-11-28-12-10-24)25-13-15(20(26)27-2)3-4-17(25)23-18;1-13-15(4-5-20-13)17-18(21-6-7-23-8-10-27-11-9-23)24-12-14(19(25)26)2-3-16(24)22-17/h3-4,6,13,22H,5,7-12H2,1-2H3;2-3,5,12,21H,4,6-11H2,1H3,(H,25,26).
What are the key properties of methyl 2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate;2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylic acid?
methyl 2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate;2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 752.88 g/mol, XLogP of 4.05, 12 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate;2-(5-methyl-3H-pyrrol-4-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 159951639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).