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

C19H20N4O2 — CID 156869459

IUPAC2-amino-5-cyclopropyl-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cc(C3CC3)cnc21
InChIInChI=1S/C19H20N4O2/c1-9-3-6-14(24)10(2)16(9)23-17(20)15(18(21)25)13-7-12(11-4-5-11)8-22-19(13)23/h3,6-8,11,24H,4-5,20H2,1-2H3,(H2,21,25)
InChIKeyILXVHUCIJXHLFY-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.91
Rot. Bonds3

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

2-amino-5-cyclopropyl-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 156869459) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-amino-5-cyclopropyl-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-cyclopropyl-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID156869459
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-amino-5-cyclopropyl-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cc(C3CC3)cnc21
InChIInChI=1S/C19H20N4O2/c1-9-3-6-14(24)10(2)16(9)23-17(20)15(18(21)25)13-7-12(11-4-5-11)8-22-19(13)23/h3,6-8,11,24H,4-5,20H2,1-2H3,(H2,21,25)
InChIKeyILXVHUCIJXHLFY-UHFFFAOYSA-N
XLogP2.91
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Lunresertib
CID 156869388
Myt1-IN-3
CID 156869367
Myt1-IN-1
CID 156869546
2-Amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 156869549
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-morpholin-4-ylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869375
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869396
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869445
6-Amino-2-(3,5-difluoro-2-pyridinyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869476
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869528
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-(2-hydroxypropan-2-yl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869542
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869646
2-Amino-5-chloro-1-(3-hydroxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 156869694

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyclopropyl-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-cyclopropyl-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide (CID 156869459) is 2-amino-5-cyclopropyl-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-cyclopropyl-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-cyclopropyl-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide is Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cc(C3CC3)cnc21.
What is the InChIKey of 2-amino-5-cyclopropyl-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is ILXVHUCIJXHLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-9-3-6-14(24)10(2)16(9)23-17(20)15(18(21)25)13-7-12(11-4-5-11)8-22-19(13)23/h3,6-8,11,24H,4-5,20H2,1-2H3,(H2,21,25).
What are the key properties of 2-amino-5-cyclopropyl-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
2-amino-5-cyclopropyl-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cyclopropyl-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 156869459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).