1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one

C26H21N3O — CID 3932

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IUPAC1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one
SMILESO=C1N(c2ccccc2)c2ccccc2C1(Cc1ccncc1)Cc1ccncc1
InChIInChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2
InChIKeyYEJCDKJIEMIWRQ-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.88
Rot. Bonds5

About 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one

1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one (PubChem CID 3932) has the molecular formula C26H21N3O and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one.

Molecular Properties

Compound Name1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one
PubChem CID3932
Molecular FormulaC26H21N3O
Molecular Weight391.47 g/mol
Exact Mass391.17
IUPAC Name1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one
SMILESO=C1N(c2ccccc2)c2ccccc2C1(Cc1ccncc1)Cc1ccncc1
InChIInChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2
InChIKeyYEJCDKJIEMIWRQ-UHFFFAOYSA-N
XLogP4.88
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-(2-Methylpyridin-4-yl)phenyl)-N-(4-(pyridin-3-yl)phenyl)acetamide
CID 57519544
Ro 23-7637
CID 129491
(R)-Rhazinilam
CID 160263
5-Pyridin-3-yl-1,3-dihydro-2H-indol-2-one
CID 12050204
1H-Indole-3-acetamide, N-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-
CID 11588880
n-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-2-(1-methyl-1h-indol-3-yl)-acetamide
CID 11603489
N-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(1H-indol-3-yl)-propionamide
CID 11625278
8-Isoquinolin-4-yl-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one
CID 44479391
6-[5-(4-Fluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 44479885
6-[5-(2-Fluorophenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 44480130
1'-[(3-Methyl-2-pyridinyl)methyl]-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-2-one
CID 57384999
Rhazinilam
CID 11312435

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one?
The IUPAC name of 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one (CID 3932) is 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one.
What is the SMILES notation for 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one?
The canonical SMILES for 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one is O=C1N(c2ccccc2)c2ccccc2C1(Cc1ccncc1)Cc1ccncc1.
What is the InChIKey of 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one?
The InChIKey is YEJCDKJIEMIWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2.
What are the key properties of 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one?
1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one has a molecular weight of 391.47 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one is sourced from PubChem (CID 3932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).