1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3,3-diphenylpropan-1-one

C22H20N2O — CID 121191045

IUPAC1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3,3-diphenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1Cc2cccnc2C1
InChIInChI=1S/C22H20N2O/c25-22(24-15-19-12-7-13-23-21(19)16-24)14-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,20H,14-16H2
InChIKeyNPLQJUVSGPANBD-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.15
Rot. Bonds4

About 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3,3-diphenylpropan-1-one

1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3,3-diphenylpropan-1-one (PubChem CID 121191045) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3,3-diphenylpropan-1-one
PubChem CID121191045
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3,3-diphenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1Cc2cccnc2C1
InChIInChI=1S/C22H20N2O/c25-22(24-15-19-12-7-13-23-21(19)16-24)14-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,20H,14-16H2
InChIKeyNPLQJUVSGPANBD-UHFFFAOYSA-N
XLogP4.15
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3,3-diphenylpropan-1-one?
The IUPAC name of 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3,3-diphenylpropan-1-one (CID 121191045) is 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3,3-diphenylpropan-1-one is O=C(CC(c1ccccc1)c1ccccc1)N1Cc2cccnc2C1.
What is the InChIKey of 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3,3-diphenylpropan-1-one?
The InChIKey is NPLQJUVSGPANBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c25-22(24-15-19-12-7-13-23-21(19)16-24)14-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,20H,14-16H2.
What are the key properties of 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3,3-diphenylpropan-1-one?
1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3,3-diphenylpropan-1-one has a molecular weight of 328.42 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3,3-diphenylpropan-1-one is sourced from PubChem (CID 121191045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).