2-[3-(2,3-dihydro-1H-inden-1-yloxy)-4-methoxyphenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine

C23H23N3O2 — CID 67671503

IUPAC2-[3-(2,3-dihydro-1H-inden-1-yloxy)-4-methoxyphenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine
SMILESCOc1ccc(N2Cc3cnc(N)cc3C2)cc1OC1CCc2ccccc21
InChIInChI=1S/C23H23N3O2/c1-27-21-9-7-18(26-13-16-10-23(24)25-12-17(16)14-26)11-22(21)28-20-8-6-15-4-2-3-5-19(15)20/h2-5,7,9-12,20H,6,8,13-14H2,1H3,(H2,24,25)
InChIKeyDYTRIBIDHBJTEN-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.26
Rot. Bonds4

About 2-[3-(2,3-dihydro-1H-inden-1-yloxy)-4-methoxyphenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine

2-[3-(2,3-dihydro-1H-inden-1-yloxy)-4-methoxyphenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine (PubChem CID 67671503) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[3-(2,3-dihydro-1H-inden-1-yloxy)-4-methoxyphenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine.

Molecular Properties

Compound Name2-[3-(2,3-dihydro-1H-inden-1-yloxy)-4-methoxyphenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine
PubChem CID67671503
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name2-[3-(2,3-dihydro-1H-inden-1-yloxy)-4-methoxyphenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine
SMILESCOc1ccc(N2Cc3cnc(N)cc3C2)cc1OC1CCc2ccccc21
InChIInChI=1S/C23H23N3O2/c1-27-21-9-7-18(26-13-16-10-23(24)25-12-17(16)14-26)11-22(21)28-20-8-6-15-4-2-3-5-19(15)20/h2-5,7,9-12,20H,6,8,13-14H2,1H3,(H2,24,25)
InChIKeyDYTRIBIDHBJTEN-UHFFFAOYSA-N
XLogP4.26
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydro-1H-inden-1-yloxy)-4-methoxyphenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine?
The IUPAC name of 2-[3-(2,3-dihydro-1H-inden-1-yloxy)-4-methoxyphenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine (CID 67671503) is 2-[3-(2,3-dihydro-1H-inden-1-yloxy)-4-methoxyphenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine.
What is the SMILES notation for 2-[3-(2,3-dihydro-1H-inden-1-yloxy)-4-methoxyphenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine?
The canonical SMILES for 2-[3-(2,3-dihydro-1H-inden-1-yloxy)-4-methoxyphenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine is COc1ccc(N2Cc3cnc(N)cc3C2)cc1OC1CCc2ccccc21.
What is the InChIKey of 2-[3-(2,3-dihydro-1H-inden-1-yloxy)-4-methoxyphenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine?
The InChIKey is DYTRIBIDHBJTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-27-21-9-7-18(26-13-16-10-23(24)25-12-17(16)14-26)11-22(21)28-20-8-6-15-4-2-3-5-19(15)20/h2-5,7,9-12,20H,6,8,13-14H2,1H3,(H2,24,25).
What are the key properties of 2-[3-(2,3-dihydro-1H-inden-1-yloxy)-4-methoxyphenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine?
2-[3-(2,3-dihydro-1H-inden-1-yloxy)-4-methoxyphenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine has a molecular weight of 373.46 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydro-1H-inden-1-yloxy)-4-methoxyphenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine is sourced from PubChem (CID 67671503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).