methyl 1-(2-hydroxyethyl)-4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate

C22H22N4O4 — CID 168565827

IUPACmethyl 1-(2-hydroxyethyl)-4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate
SMILESCOC(=O)C1=C(Nc2ccc(-c3cn4cccc(C)c4n3)cc2)C(=O)N(CCO)C1
InChIInChI=1S/C22H22N4O4/c1-14-4-3-9-25-13-18(24-20(14)25)15-5-7-16(8-6-15)23-19-17(22(29)30-2)12-26(10-11-27)21(19)28/h3-9,13,23,27H,10-12H2,1-2H3
InChIKeyPGISZFDOTSMGBZ-UHFFFAOYSA-N
MW406.44 g/mol
LogP1.98
Rot. Bonds6

About methyl 1-(2-hydroxyethyl)-4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate

methyl 1-(2-hydroxyethyl)-4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate (PubChem CID 168565827) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is methyl 1-(2-hydroxyethyl)-4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-hydroxyethyl)-4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate
PubChem CID168565827
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Namemethyl 1-(2-hydroxyethyl)-4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate
SMILESCOC(=O)C1=C(Nc2ccc(-c3cn4cccc(C)c4n3)cc2)C(=O)N(CCO)C1
InChIInChI=1S/C22H22N4O4/c1-14-4-3-9-25-13-18(24-20(14)25)15-5-7-16(8-6-15)23-19-17(22(29)30-2)12-26(10-11-27)21(19)28/h3-9,13,23,27H,10-12H2,1-2H3
InChIKeyPGISZFDOTSMGBZ-UHFFFAOYSA-N
XLogP1.98
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-(2-hydroxyethyl)-4-[4-(2-methylphenyl)anilino]-5-oxo-2H-pyrrole-3-carboxylate
CID 168565428
methyl 1-(2-hydroxyethyl)-5-oxo-4-(4-trimethoxysilylanilino)-2H-pyrrole-3-carboxylate
CID 168563078
methyl 1-(2-hydroxyethyl)-4-[4-(2-methoxy-2-oxoethyl)anilino]-5-oxo-2H-pyrrole-3-carboxylate
CID 168564610
methyl 1-(2-hydroxyethyl)-5-oxo-4-(4-thiophen-3-ylanilino)-2H-pyrrole-3-carboxylate
CID 168562909
methyl 1-(2-hydroxyethyl)-4-[(4-methylisoquinolin-5-yl)amino]-5-oxo-2H-pyrrole-3-carboxylate
CID 168564267
methyl 4-(4-carbamoylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168561740
methyl 4-(4-fluoro-3-methylanilino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168560909
methyl 1-(2-hydroxyethyl)-5-oxo-4-(4-tritylanilino)-2H-pyrrole-3-carboxylate
CID 168561735
methyl 4-[4-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidin-4-yl)anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168564426
methyl 4-[4-(difluoromethyl)anilino]-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168561734
N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 700051
methyl 1-(2-hydroxyethyl)-4-[[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]amino]-5-oxo-2H-pyrrole-3-carboxylate
CID 168565784

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-hydroxyethyl)-4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate?
The IUPAC name of methyl 1-(2-hydroxyethyl)-4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate (CID 168565827) is methyl 1-(2-hydroxyethyl)-4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 1-(2-hydroxyethyl)-4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 1-(2-hydroxyethyl)-4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate is COC(=O)C1=C(Nc2ccc(-c3cn4cccc(C)c4n3)cc2)C(=O)N(CCO)C1.
What is the InChIKey of methyl 1-(2-hydroxyethyl)-4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate?
The InChIKey is PGISZFDOTSMGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-14-4-3-9-25-13-18(24-20(14)25)15-5-7-16(8-6-15)23-19-17(22(29)30-2)12-26(10-11-27)21(19)28/h3-9,13,23,27H,10-12H2,1-2H3.
What are the key properties of methyl 1-(2-hydroxyethyl)-4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate?
methyl 1-(2-hydroxyethyl)-4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate has a molecular weight of 406.44 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-hydroxyethyl)-4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-5-oxo-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 168565827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).