methyl 5-amino-3-cyano-1-ethyl-4-(5-hydroxy-6-methylcyclohexa-1,5-dien-1-yl)pyrrolo[2,3-b]pyridine-6-carboxylate

C19H20N4O3 — CID 171820196

IUPACmethyl 5-amino-3-cyano-1-ethyl-4-(5-hydroxy-6-methylcyclohexa-1,5-dien-1-yl)pyrrolo[2,3-b]pyridine-6-carboxylate
SMILESCCn1cc(C#N)c2c(C3=CCCC(O)=C3C)c(N)c(C(=O)OC)nc21
InChIInChI=1S/C19H20N4O3/c1-4-23-9-11(8-20)14-15(12-6-5-7-13(24)10(12)2)16(21)17(19(25)26-3)22-18(14)23/h6,9,24H,4-5,7,21H2,1-3H3
InChIKeyQWSGVZWFKAOBSY-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.31
Rot. Bonds3

About methyl 5-amino-3-cyano-1-ethyl-4-(5-hydroxy-6-methylcyclohexa-1,5-dien-1-yl)pyrrolo[2,3-b]pyridine-6-carboxylate

methyl 5-amino-3-cyano-1-ethyl-4-(5-hydroxy-6-methylcyclohexa-1,5-dien-1-yl)pyrrolo[2,3-b]pyridine-6-carboxylate (PubChem CID 171820196) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 5-amino-3-cyano-1-ethyl-4-(5-hydroxy-6-methylcyclohexa-1,5-dien-1-yl)pyrrolo[2,3-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-cyano-1-ethyl-4-(5-hydroxy-6-methylcyclohexa-1,5-dien-1-yl)pyrrolo[2,3-b]pyridine-6-carboxylate
PubChem CID171820196
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Namemethyl 5-amino-3-cyano-1-ethyl-4-(5-hydroxy-6-methylcyclohexa-1,5-dien-1-yl)pyrrolo[2,3-b]pyridine-6-carboxylate
SMILESCCn1cc(C#N)c2c(C3=CCCC(O)=C3C)c(N)c(C(=O)OC)nc21
InChIInChI=1S/C19H20N4O3/c1-4-23-9-11(8-20)14-15(12-6-5-7-13(24)10(12)2)16(21)17(19(25)26-3)22-18(14)23/h6,9,24H,4-5,7,21H2,1-3H3
InChIKeyQWSGVZWFKAOBSY-UHFFFAOYSA-N
XLogP3.31
TPSA114.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 5-amino-3-cyano-1-ethyl-4-(5-hydroxy-6-methylcyclohexa-1,5-dien-1-yl)pyrrolo[2,3-b]pyridine-6-carboxylate with MolForge

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Related Compounds

5-amino-3-cyano-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxamide
CID 171819982
methyl 4-bromo-3-cyano-1-ethylpyrrolo[2,3-b]pyridine-6-carboxylate
CID 171820325
methyl 5-amino-4-bromo-3-cyano-1,2-dimethylpyrrolo[2,3-b]pyridine-6-carboxylate
CID 171820312
methyl 3-chloro-4-cyano-1-ethylpyrrole-2-carboxylate
CID 172593346
diethyl 7-benzyl-5-cyanopyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate
CID 11036225
methyl 2-amino-4-chloro-7-ethylpyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 87576664
ethane;methyl 3-cyano-6-methylpyridine-2-carboxylate
CID 142574365
5-amino-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-3,6-dicarboxamide
CID 171820275
methyl 3-amino-5-cyano-4-methylbenzoate
CID 162342400
methyl 3-amino-1-benzyl-4-cyanopyrrole-2-carboxylate
CID 23033066
methyl 6-amino-5-cyano-3-methylpyrazine-2-carboxylate
CID 12625134
methyl 5-amino-2,6-dimethylpyrimidine-4-carboxylate
CID 18175252

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-cyano-1-ethyl-4-(5-hydroxy-6-methylcyclohexa-1,5-dien-1-yl)pyrrolo[2,3-b]pyridine-6-carboxylate?
The IUPAC name of methyl 5-amino-3-cyano-1-ethyl-4-(5-hydroxy-6-methylcyclohexa-1,5-dien-1-yl)pyrrolo[2,3-b]pyridine-6-carboxylate (CID 171820196) is methyl 5-amino-3-cyano-1-ethyl-4-(5-hydroxy-6-methylcyclohexa-1,5-dien-1-yl)pyrrolo[2,3-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 5-amino-3-cyano-1-ethyl-4-(5-hydroxy-6-methylcyclohexa-1,5-dien-1-yl)pyrrolo[2,3-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 5-amino-3-cyano-1-ethyl-4-(5-hydroxy-6-methylcyclohexa-1,5-dien-1-yl)pyrrolo[2,3-b]pyridine-6-carboxylate is CCn1cc(C#N)c2c(C3=CCCC(O)=C3C)c(N)c(C(=O)OC)nc21.
What is the InChIKey of methyl 5-amino-3-cyano-1-ethyl-4-(5-hydroxy-6-methylcyclohexa-1,5-dien-1-yl)pyrrolo[2,3-b]pyridine-6-carboxylate?
The InChIKey is QWSGVZWFKAOBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-4-23-9-11(8-20)14-15(12-6-5-7-13(24)10(12)2)16(21)17(19(25)26-3)22-18(14)23/h6,9,24H,4-5,7,21H2,1-3H3.
What are the key properties of methyl 5-amino-3-cyano-1-ethyl-4-(5-hydroxy-6-methylcyclohexa-1,5-dien-1-yl)pyrrolo[2,3-b]pyridine-6-carboxylate?
methyl 5-amino-3-cyano-1-ethyl-4-(5-hydroxy-6-methylcyclohexa-1,5-dien-1-yl)pyrrolo[2,3-b]pyridine-6-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-cyano-1-ethyl-4-(5-hydroxy-6-methylcyclohexa-1,5-dien-1-yl)pyrrolo[2,3-b]pyridine-6-carboxylate is sourced from PubChem (CID 171820196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).