5-[3-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-6,7-dihydropyrrolo[3,4-b]pyridin-7-amine

C22H24N4O — CID 68565896

IUPAC5-[3-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-6,7-dihydropyrrolo[3,4-b]pyridin-7-amine
SMILESCC(C)COc1cccc(C2(c3ccncc3)NC(N)c3ncccc32)c1
InChIInChI=1S/C22H24N4O/c1-15(2)14-27-18-6-3-5-17(13-18)22(16-8-11-24-12-9-16)19-7-4-10-25-20(19)21(23)26-22/h3-13,15,21,26H,14,23H2,1-2H3
InChIKeyCVHKJKYFPBQMCC-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.36
Rot. Bonds5

About 5-[3-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-6,7-dihydropyrrolo[3,4-b]pyridin-7-amine

5-[3-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-6,7-dihydropyrrolo[3,4-b]pyridin-7-amine (PubChem CID 68565896) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 5-[3-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-6,7-dihydropyrrolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name5-[3-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-6,7-dihydropyrrolo[3,4-b]pyridin-7-amine
PubChem CID68565896
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name5-[3-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-6,7-dihydropyrrolo[3,4-b]pyridin-7-amine
SMILESCC(C)COc1cccc(C2(c3ccncc3)NC(N)c3ncccc32)c1
InChIInChI=1S/C22H24N4O/c1-15(2)14-27-18-6-3-5-17(13-18)22(16-8-11-24-12-9-16)19-7-4-10-25-20(19)21(23)26-22/h3-13,15,21,26H,14,23H2,1-2H3
InChIKeyCVHKJKYFPBQMCC-UHFFFAOYSA-N
XLogP3.36
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[3-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-6,7-dihydropyrrolo[3,4-b]pyridin-7-amine with MolForge

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Related Compounds

1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 23399142
1-[3-(2-methylpropoxy)phenyl]propan-2-amine
CID 60907864
[3-(2-methylpropoxy)phenyl]hydrazine
CID 55281229
ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 142361256
3-ethyl-2-methyl-2-[3-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one
CID 54777990
2-[3-(2-methylpropoxy)phenyl]pyrrolidine
CID 77131627
4-(2-cyclopropylethyl)-1-[3-(2-methylpropoxy)phenyl]-2-oxabicyclo[2.2.2]octane
CID 129068323
1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene
CID 144804713
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
4-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 133468564
2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284740

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-6,7-dihydropyrrolo[3,4-b]pyridin-7-amine?
The IUPAC name of 5-[3-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-6,7-dihydropyrrolo[3,4-b]pyridin-7-amine (CID 68565896) is 5-[3-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-6,7-dihydropyrrolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 5-[3-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-6,7-dihydropyrrolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 5-[3-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-6,7-dihydropyrrolo[3,4-b]pyridin-7-amine is CC(C)COc1cccc(C2(c3ccncc3)NC(N)c3ncccc32)c1.
What is the InChIKey of 5-[3-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-6,7-dihydropyrrolo[3,4-b]pyridin-7-amine?
The InChIKey is CVHKJKYFPBQMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15(2)14-27-18-6-3-5-17(13-18)22(16-8-11-24-12-9-16)19-7-4-10-25-20(19)21(23)26-22/h3-13,15,21,26H,14,23H2,1-2H3.
What are the key properties of 5-[3-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-6,7-dihydropyrrolo[3,4-b]pyridin-7-amine?
5-[3-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-6,7-dihydropyrrolo[3,4-b]pyridin-7-amine has a molecular weight of 360.46 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methylpropoxy)phenyl]-5-pyridin-4-yl-6,7-dihydropyrrolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 68565896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).