2-amino-5-chloro-1-(3-hydroxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide

C17H17ClN4O2 — CID 156869694

IUPAC2-amino-5-chloro-1-(3-hydroxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cc(Cl)c(C)nc21
InChIInChI=1S/C17H17ClN4O2/c1-7-4-5-12(23)8(2)14(7)22-15(19)13(16(20)24)10-6-11(18)9(3)21-17(10)22/h4-6,23H,19H2,1-3H3,(H2,20,24)
InChIKeyIEYFYHAQSNSXRD-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.99
Rot. Bonds2

About 2-amino-5-chloro-1-(3-hydroxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide

2-amino-5-chloro-1-(3-hydroxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 156869694) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 2-amino-5-chloro-1-(3-hydroxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-1-(3-hydroxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID156869694
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name2-amino-5-chloro-1-(3-hydroxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cc(Cl)c(C)nc21
InChIInChI=1S/C17H17ClN4O2/c1-7-4-5-12(23)8(2)14(7)22-15(19)13(16(20)24)10-6-11(18)9(3)21-17(10)22/h4-6,23H,19H2,1-3H3,(H2,20,24)
InChIKeyIEYFYHAQSNSXRD-UHFFFAOYSA-N
XLogP2.99
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-5-chloro-1-(3-hydroxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-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 2-amino-5-chloro-1-(3-hydroxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-chloro-1-(3-hydroxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 156869694) is 2-amino-5-chloro-1-(3-hydroxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-1-(3-hydroxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-chloro-1-(3-hydroxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide is Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cc(Cl)c(C)nc21.
What is the InChIKey of 2-amino-5-chloro-1-(3-hydroxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is IEYFYHAQSNSXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-7-4-5-12(23)8(2)14(7)22-15(19)13(16(20)24)10-6-11(18)9(3)21-17(10)22/h4-6,23H,19H2,1-3H3,(H2,20,24).
What are the key properties of 2-amino-5-chloro-1-(3-hydroxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
2-amino-5-chloro-1-(3-hydroxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 2.99, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-1-(3-hydroxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 156869694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).