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

C26H20ClN3O — CID 14209559

IUPAC1-(3-chlorophenyl)-3,3-bis(pyridin-4-ylmethyl)indol-2-one
SMILESO=C1N(c2cccc(Cl)c2)c2ccccc2C1(Cc1ccncc1)Cc1ccncc1
InChIInChI=1S/C26H20ClN3O/c27-21-4-3-5-22(16-21)30-24-7-2-1-6-23(24)26(25(30)31,17-19-8-12-28-13-9-19)18-20-10-14-29-15-11-20/h1-16H,17-18H2
InChIKeyUKQRNGUMDZXMLU-UHFFFAOYSA-N
MW425.92 g/mol
LogP5.53
Rot. Bonds5

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

1-(3-chlorophenyl)-3,3-bis(pyridin-4-ylmethyl)indol-2-one (PubChem CID 14209559) has the molecular formula C26H20ClN3O and a molecular weight of 425.92 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3,3-bis(pyridin-4-ylmethyl)indol-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3,3-bis(pyridin-4-ylmethyl)indol-2-one
PubChem CID14209559
Molecular FormulaC26H20ClN3O
Molecular Weight425.92 g/mol
Exact Mass425.13
IUPAC Name1-(3-chlorophenyl)-3,3-bis(pyridin-4-ylmethyl)indol-2-one
SMILESO=C1N(c2cccc(Cl)c2)c2ccccc2C1(Cc1ccncc1)Cc1ccncc1
InChIInChI=1S/C26H20ClN3O/c27-21-4-3-5-22(16-21)30-24-7-2-1-6-23(24)26(25(30)31,17-19-8-12-28-13-9-19)18-20-10-14-29-15-11-20/h1-16H,17-18H2
InChIKeyUKQRNGUMDZXMLU-UHFFFAOYSA-N
XLogP5.53
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.92
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Linopirdine
CID 3932
(E)-4-chloro-3-(2-oxo-2-(pyridin-3-yl)ethylidene)-1-phenylindolin-2-one
CID 54586674
1'-[(3-Methyl-2-pyridinyl)methyl]-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-2-one
CID 57384999
(3E)-3-[[1-[(2-chlorophenyl)methyl]pyridin-1-ium-4-yl]methylidene]-1H-indol-2-one chloride
CID 118708833
(3E)-3-[[1-[(2-chlorophenyl)methyl]pyridin-1-ium-4-yl]methylidene]-1H-indol-2-one
CID 118708834
(3E)-3-[[1-[(2-chloro-6-fluorophenyl)methyl]pyridin-1-ium-4-yl]methylidene]-1H-indol-2-one chloride
CID 118708845
(3E)-3-[[1-[(3-chlorophenyl)methyl]pyridin-1-ium-4-yl]methylidene]-1H-indol-2-one bromide
CID 118708849
2-[2-(2-Chloro-phenyl)-1H-indol-3-yl]-N-isopropyl-N-pyridin-4-ylmethyl-acetamide
CID 10223743
2-[2-(3-Chloro-phenyl)-1H-indol-3-yl]-N-isopropyl-N-pyridin-4-ylmethyl-acetamide
CID 10273485
1'-[(3-Methyl-2-pyridinyl)methyl]-1-(4-pyridin-3-ylphenyl)spiro[indole-3,4'-piperidine]-2-one
CID 25173590
1'-[(3-Methyl-2-pyridinyl)methyl]-1-(4-pyridin-2-ylphenyl)spiro[indole-3,4'-piperidine]-2-one
CID 25173900
(E)-4-chloro-3-(2-oxo-2-(pyridin-3-yl)ethylidene)-1-(3-phenylpropyl)indolin-2-one
CID 54581834

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3,3-bis(pyridin-4-ylmethyl)indol-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3,3-bis(pyridin-4-ylmethyl)indol-2-one (CID 14209559) is 1-(3-chlorophenyl)-3,3-bis(pyridin-4-ylmethyl)indol-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3,3-bis(pyridin-4-ylmethyl)indol-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3,3-bis(pyridin-4-ylmethyl)indol-2-one is O=C1N(c2cccc(Cl)c2)c2ccccc2C1(Cc1ccncc1)Cc1ccncc1.
What is the InChIKey of 1-(3-chlorophenyl)-3,3-bis(pyridin-4-ylmethyl)indol-2-one?
The InChIKey is UKQRNGUMDZXMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3O/c27-21-4-3-5-22(16-21)30-24-7-2-1-6-23(24)26(25(30)31,17-19-8-12-28-13-9-19)18-20-10-14-29-15-11-20/h1-16H,17-18H2.
What are the key properties of 1-(3-chlorophenyl)-3,3-bis(pyridin-4-ylmethyl)indol-2-one?
1-(3-chlorophenyl)-3,3-bis(pyridin-4-ylmethyl)indol-2-one has a molecular weight of 425.92 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3,3-bis(pyridin-4-ylmethyl)indol-2-one is sourced from PubChem (CID 14209559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).