2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(1-methylpyrazol-4-yl)-6-oxopyrrolo[3,2-c]pyridine-3-carboxamide

C20H20N6O3 — CID 172626007

IUPAC2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(1-methylpyrazol-4-yl)-6-oxopyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cn(-c3cnn(C)c3)c(=O)cc21
InChIInChI=1S/C20H20N6O3/c1-10-4-5-15(27)11(2)18(10)26-14-6-16(28)25(12-7-23-24(3)8-12)9-13(14)17(19(26)21)20(22)29/h4-9,27H,21H2,1-3H3,(H2,22,29)
InChIKeyAAJLVYNTZCTFQX-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.52
Rot. Bonds3

About 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(1-methylpyrazol-4-yl)-6-oxopyrrolo[3,2-c]pyridine-3-carboxamide

2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(1-methylpyrazol-4-yl)-6-oxopyrrolo[3,2-c]pyridine-3-carboxamide (PubChem CID 172626007) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(1-methylpyrazol-4-yl)-6-oxopyrrolo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(1-methylpyrazol-4-yl)-6-oxopyrrolo[3,2-c]pyridine-3-carboxamide
PubChem CID172626007
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(1-methylpyrazol-4-yl)-6-oxopyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cn(-c3cnn(C)c3)c(=O)cc21
InChIInChI=1S/C20H20N6O3/c1-10-4-5-15(27)11(2)18(10)26-14-6-16(28)25(12-7-23-24(3)8-12)9-13(14)17(19(26)21)20(22)29/h4-9,27H,21H2,1-3H3,(H2,22,29)
InChIKeyAAJLVYNTZCTFQX-UHFFFAOYSA-N
XLogP1.52
TPSA134.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(1-methylpyrazol-4-yl)-6-oxopyrrolo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(1-methylpyrazol-4-yl)-6-oxopyrrolo[3,2-c]pyridine-3-carboxamide (CID 172626007) is 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(1-methylpyrazol-4-yl)-6-oxopyrrolo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(1-methylpyrazol-4-yl)-6-oxopyrrolo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(1-methylpyrazol-4-yl)-6-oxopyrrolo[3,2-c]pyridine-3-carboxamide is Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cn(-c3cnn(C)c3)c(=O)cc21.
What is the InChIKey of 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(1-methylpyrazol-4-yl)-6-oxopyrrolo[3,2-c]pyridine-3-carboxamide?
The InChIKey is AAJLVYNTZCTFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-10-4-5-15(27)11(2)18(10)26-14-6-16(28)25(12-7-23-24(3)8-12)9-13(14)17(19(26)21)20(22)29/h4-9,27H,21H2,1-3H3,(H2,22,29).
What are the key properties of 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(1-methylpyrazol-4-yl)-6-oxopyrrolo[3,2-c]pyridine-3-carboxamide?
2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(1-methylpyrazol-4-yl)-6-oxopyrrolo[3,2-c]pyridine-3-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(1-methylpyrazol-4-yl)-6-oxopyrrolo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 172626007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).