methyl 3-amino-4-cyano-1-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrole-2-carboxylate

C22H19N5O2 — CID 168549645

IUPACmethyl 3-amino-4-cyano-1-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1c(N)c(C#N)cn1-c1cc(-c2cn3ccc(C)cc3n2)ccc1C
InChIInChI=1S/C22H19N5O2/c1-13-6-7-26-12-17(25-19(26)8-13)15-5-4-14(2)18(9-15)27-11-16(10-23)20(24)21(27)22(28)29-3/h4-9,11-12H,24H2,1-3H3
InChIKeyRKWUILOXBBFKNU-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.65
Rot. Bonds3

About methyl 3-amino-4-cyano-1-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrole-2-carboxylate

methyl 3-amino-4-cyano-1-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrole-2-carboxylate (PubChem CID 168549645) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is methyl 3-amino-4-cyano-1-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-cyano-1-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrole-2-carboxylate
PubChem CID168549645
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Namemethyl 3-amino-4-cyano-1-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1c(N)c(C#N)cn1-c1cc(-c2cn3ccc(C)cc3n2)ccc1C
InChIInChI=1S/C22H19N5O2/c1-13-6-7-26-12-17(25-19(26)8-13)15-5-4-14(2)18(9-15)27-11-16(10-23)20(24)21(27)22(28)29-3/h4-9,11-12H,24H2,1-3H3
InChIKeyRKWUILOXBBFKNU-UHFFFAOYSA-N
XLogP3.65
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-amino-4-cyano-1-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrole-2-carboxylate with MolForge

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Related Compounds

methyl 3-amino-4-cyano-1-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyrrole-2-carboxylate
CID 168548888
methyl 3-amino-1-(5-chloro-2-methylphenyl)-4-cyanopyrrole-2-carboxylate
CID 168511754
methyl 3-amino-4-cyano-1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)pyrrole-2-carboxylate
CID 168550226
methyl 3-amino-4-cyano-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrole-2-carboxylate
CID 168546639
methyl 3-amino-4-cyano-1-[4-(3,4-dimethylphenyl)phenyl]pyrrole-2-carboxylate
CID 168548512
methyl 3-amino-4-cyano-1-[3-(3,4-dimethylphenyl)phenyl]pyrrole-2-carboxylate
CID 168546775
methyl 3-amino-4-cyano-1-(4-hydroxy-2-methylphenyl)pyrrole-2-carboxylate
CID 168550393
methyl 3-amino-4-cyano-1-(2,3-dimethylphenyl)pyrrole-2-carboxylate
CID 168546086
methyl 3-amino-1-(5-chloro-4-methoxycarbonyl-2-methylphenyl)-4-cyanopyrrole-2-carboxylate
CID 168550232
methyl 3-amino-1-(2-bromo-4-methoxycarbonylphenyl)-4-cyanopyrrole-2-carboxylate
CID 168545783
methyl 3-amino-1-(5-chloro-2-cyano-4-methylphenyl)-4-cyanopyrrole-2-carboxylate
CID 168549836
methyl 3-amino-4-cyano-1-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pyrrole-2-carboxylate
CID 168547980

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-cyano-1-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrole-2-carboxylate?
The IUPAC name of methyl 3-amino-4-cyano-1-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrole-2-carboxylate (CID 168549645) is methyl 3-amino-4-cyano-1-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-cyano-1-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrole-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-cyano-1-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrole-2-carboxylate is COC(=O)c1c(N)c(C#N)cn1-c1cc(-c2cn3ccc(C)cc3n2)ccc1C.
What is the InChIKey of methyl 3-amino-4-cyano-1-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrole-2-carboxylate?
The InChIKey is RKWUILOXBBFKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-13-6-7-26-12-17(25-19(26)8-13)15-5-4-14(2)18(9-15)27-11-16(10-23)20(24)21(27)22(28)29-3/h4-9,11-12H,24H2,1-3H3.
What are the key properties of methyl 3-amino-4-cyano-1-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrole-2-carboxylate?
methyl 3-amino-4-cyano-1-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrole-2-carboxylate has a molecular weight of 385.43 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-cyano-1-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrrole-2-carboxylate is sourced from PubChem (CID 168549645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).