5-amino-3-cyano-4-(3-hydroxy-2-methylphenyl)-2-methyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-6-carboxamide

C19H16F3N5O2 — CID 171820192

IUPAC5-amino-3-cyano-4-(3-hydroxy-2-methylphenyl)-2-methyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCc1c(O)cccc1-c1c(N)c(C(N)=O)nc2c1c(C#N)c(C)n2CC(F)(F)F
InChIInChI=1S/C19H16F3N5O2/c1-8-10(4-3-5-12(8)28)13-14-11(6-23)9(2)27(7-19(20,21)22)18(14)26-16(15(13)24)17(25)29/h3-5,28H,7,24H2,1-2H3,(H2,25,29)
InChIKeyNCCBGWQHERBICU-UHFFFAOYSA-N
MW403.36 g/mol
LogP3.14
Rot. Bonds3

About 5-amino-3-cyano-4-(3-hydroxy-2-methylphenyl)-2-methyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-6-carboxamide

5-amino-3-cyano-4-(3-hydroxy-2-methylphenyl)-2-methyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 171820192) has the molecular formula C19H16F3N5O2 and a molecular weight of 403.36 g/mol. Its IUPAC name is 5-amino-3-cyano-4-(3-hydroxy-2-methylphenyl)-2-methyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name5-amino-3-cyano-4-(3-hydroxy-2-methylphenyl)-2-methyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID171820192
Molecular FormulaC19H16F3N5O2
Molecular Weight403.36 g/mol
Exact Mass403.13
IUPAC Name5-amino-3-cyano-4-(3-hydroxy-2-methylphenyl)-2-methyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCc1c(O)cccc1-c1c(N)c(C(N)=O)nc2c1c(C#N)c(C)n2CC(F)(F)F
InChIInChI=1S/C19H16F3N5O2/c1-8-10(4-3-5-12(8)28)13-14-11(6-23)9(2)27(7-19(20,21)22)18(14)26-16(15(13)24)17(25)29/h3-5,28H,7,24H2,1-2H3,(H2,25,29)
InChIKeyNCCBGWQHERBICU-UHFFFAOYSA-N
XLogP3.14
TPSA130.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-amino-3-cyano-4-(3-hydroxy-2-methylphenyl)-2-methyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-cyano-4-(3-hydroxy-2-methylphenyl)-2-methyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of 5-amino-3-cyano-4-(3-hydroxy-2-methylphenyl)-2-methyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-6-carboxamide (CID 171820192) is 5-amino-3-cyano-4-(3-hydroxy-2-methylphenyl)-2-methyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 5-amino-3-cyano-4-(3-hydroxy-2-methylphenyl)-2-methyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for 5-amino-3-cyano-4-(3-hydroxy-2-methylphenyl)-2-methyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-6-carboxamide is Cc1c(O)cccc1-c1c(N)c(C(N)=O)nc2c1c(C#N)c(C)n2CC(F)(F)F.
What is the InChIKey of 5-amino-3-cyano-4-(3-hydroxy-2-methylphenyl)-2-methyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is NCCBGWQHERBICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O2/c1-8-10(4-3-5-12(8)28)13-14-11(6-23)9(2)27(7-19(20,21)22)18(14)26-16(15(13)24)17(25)29/h3-5,28H,7,24H2,1-2H3,(H2,25,29).
What are the key properties of 5-amino-3-cyano-4-(3-hydroxy-2-methylphenyl)-2-methyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-6-carboxamide?
5-amino-3-cyano-4-(3-hydroxy-2-methylphenyl)-2-methyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 403.36 g/mol, XLogP of 3.14, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-cyano-4-(3-hydroxy-2-methylphenyl)-2-methyl-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 171820192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).