2-amino-5-cyclopropyl-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxopyrrolo[2,3-c]pyridine-3-carbonitrile

C21H22N4O2 — CID 177163635

IUPAC2-amino-5-cyclopropyl-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxopyrrolo[2,3-c]pyridine-3-carbonitrile
SMILESCOc1ccc(C)c(-n2c(N)c(C#N)c3cc(C4CC4)n(C)c(=O)c32)c1C
InChIInChI=1S/C21H22N4O2/c1-11-5-8-17(27-4)12(2)18(11)25-19-14(15(10-22)20(25)23)9-16(13-6-7-13)24(3)21(19)26/h5,8-9,13H,6-7,23H2,1-4H3
InChIKeyKHSCQTYRHQJSRP-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.29
Rot. Bonds3

About 2-amino-5-cyclopropyl-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxopyrrolo[2,3-c]pyridine-3-carbonitrile

2-amino-5-cyclopropyl-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxopyrrolo[2,3-c]pyridine-3-carbonitrile (PubChem CID 177163635) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-amino-5-cyclopropyl-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxopyrrolo[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-cyclopropyl-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxopyrrolo[2,3-c]pyridine-3-carbonitrile
PubChem CID177163635
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-amino-5-cyclopropyl-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxopyrrolo[2,3-c]pyridine-3-carbonitrile
SMILESCOc1ccc(C)c(-n2c(N)c(C#N)c3cc(C4CC4)n(C)c(=O)c32)c1C
InChIInChI=1S/C21H22N4O2/c1-11-5-8-17(27-4)12(2)18(11)25-19-14(15(10-22)20(25)23)9-16(13-6-7-13)24(3)21(19)26/h5,8-9,13H,6-7,23H2,1-4H3
InChIKeyKHSCQTYRHQJSRP-UHFFFAOYSA-N
XLogP3.29
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-Amino-3-(fluoromethyl)-7-(3-methoxy-2,6-dimethylphenyl)-2-methyl-4-oxopyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 176792266
2-Amino-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
CID 177163605
2-Amino-1-(4-bromo-3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carbonitrile
CID 177163607
2-Amino-6-ethyl-1-(3-methoxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carbonitrile
CID 177163621
2-Amino-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carbonitrile
CID 177163626
2-Amino-1-(6-cyclopropyl-3-hydroxy-2-methylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
CID 177163645
2-Amino-6-ethyl-1-(3-methoxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
CID 177163647
4-Amino-11-cyclopropyl-3-(3-methoxy-2,6-dimethylphenyl)-12-oxo-7-(trifluoromethyl)-3,8,11-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7-tetraene-5-carbonitrile
CID 178110815
6-amino-5-(3-methoxy-2,6-dimethylphenyl)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869412
6-amino-5-(3-methoxy-2,6-dimethylphenyl)-2-oxo-3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869535
6-Amino-7-(3-methoxy-2,6-dimethylphenyl)-3-methyl-4-oxopyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 169238421
2-Amino-1-(3-methoxy-2,6-dimethylphenyl)-5,6-dimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide
CID 172554539

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyclopropyl-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxopyrrolo[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-cyclopropyl-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxopyrrolo[2,3-c]pyridine-3-carbonitrile (CID 177163635) is 2-amino-5-cyclopropyl-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxopyrrolo[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-cyclopropyl-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxopyrrolo[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-cyclopropyl-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxopyrrolo[2,3-c]pyridine-3-carbonitrile is COc1ccc(C)c(-n2c(N)c(C#N)c3cc(C4CC4)n(C)c(=O)c32)c1C.
What is the InChIKey of 2-amino-5-cyclopropyl-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxopyrrolo[2,3-c]pyridine-3-carbonitrile?
The InChIKey is KHSCQTYRHQJSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-11-5-8-17(27-4)12(2)18(11)25-19-14(15(10-22)20(25)23)9-16(13-6-7-13)24(3)21(19)26/h5,8-9,13H,6-7,23H2,1-4H3.
What are the key properties of 2-amino-5-cyclopropyl-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxopyrrolo[2,3-c]pyridine-3-carbonitrile?
2-amino-5-cyclopropyl-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxopyrrolo[2,3-c]pyridine-3-carbonitrile has a molecular weight of 362.43 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cyclopropyl-1-(3-methoxy-2,6-dimethylphenyl)-6-methyl-7-oxopyrrolo[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 177163635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).