3-pyridin-4-yl-1-[4-(2-pyridin-4-yl-1H-indol-5-yl)-2-pyridinyl]propan-1-one

C26H20N4O — CID 58506035

IUPAC3-pyridin-4-yl-1-[4-(2-pyridin-4-yl-1H-indol-5-yl)-2-pyridinyl]propan-1-one
SMILESO=C(CCc1ccncc1)c1cc(-c2ccc3[nH]c(-c4ccncc4)cc3c2)ccn1
InChIInChI=1S/C26H20N4O/c31-26(4-1-18-5-10-27-11-6-18)25-16-21(9-14-29-25)20-2-3-23-22(15-20)17-24(30-23)19-7-12-28-13-8-19/h2-3,5-17,30H,1,4H2
InChIKeyRWECICBBLOZXRS-UHFFFAOYSA-N
MW404.47 g/mol
LogP5.50
Rot. Bonds6

About 3-pyridin-4-yl-1-[4-(2-pyridin-4-yl-1H-indol-5-yl)-2-pyridinyl]propan-1-one

3-pyridin-4-yl-1-[4-(2-pyridin-4-yl-1H-indol-5-yl)-2-pyridinyl]propan-1-one (PubChem CID 58506035) has the molecular formula C26H20N4O and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-pyridin-4-yl-1-[4-(2-pyridin-4-yl-1H-indol-5-yl)-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name3-pyridin-4-yl-1-[4-(2-pyridin-4-yl-1H-indol-5-yl)-2-pyridinyl]propan-1-one
PubChem CID58506035
Molecular FormulaC26H20N4O
Molecular Weight404.47 g/mol
Exact Mass404.16
IUPAC Name3-pyridin-4-yl-1-[4-(2-pyridin-4-yl-1H-indol-5-yl)-2-pyridinyl]propan-1-one
SMILESO=C(CCc1ccncc1)c1cc(-c2ccc3[nH]c(-c4ccncc4)cc3c2)ccn1
InChIInChI=1S/C26H20N4O/c31-26(4-1-18-5-10-27-11-6-18)25-16-21(9-14-29-25)20-2-3-23-22(15-20)17-24(30-23)19-7-12-28-13-8-19/h2-3,5-17,30H,1,4H2
InChIKeyRWECICBBLOZXRS-UHFFFAOYSA-N
XLogP5.50
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-pyridin-4-yl-1-[4-(2-pyridin-4-yl-1H-indol-5-yl)-2-pyridinyl]propan-1-one with MolForge

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Related Compounds

4-[3-[5-(2-ethoxycarbonyl-1H-indol-5-yl)-1-methylpyrazol-3-yl]-3-oxopropyl]benzoic acid;4-[3-[1-methyl-5-(2-pyridin-4-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid
CID 161165798
5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxylic acid
CID 45377841
4-[3-[1-methyl-5-(2-pyrimidin-5-yl-1H-indol-5-yl)pyrazol-3-yl]-3-oxopropyl]benzoic acid
CID 58506110
5-(5-methoxy-3-pyridinyl)-2-pyridin-4-yl-1H-indole
CID 146451999
N-[2-[4-(pyridine-4-carbonylamino)phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
CID 10002974
N-methoxy-N-methyl-5-[2-(pyridin-4-ylmethylcarbamoyl)-4-pyridinyl]-1H-indole-2-carboxamide
CID 45377996
5-(2,6-dimethyl-4-pyridinyl)-2-(2-methyl-4-pyridinyl)-1H-indole
CID 146452003
N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 46334572
2-(2-methylpyrazol-3-yl)-5-pyridin-4-yl-1H-indole
CID 146452018
2-(2-methoxy-4-pyridinyl)-5-(5-methoxy-3-pyridinyl)-1H-indole
CID 146451953
3-[2-(3-chloro-4-pyridinyl)-1H-indol-5-yl]propanoic acid
CID 164627496
5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 135887221

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-1-[4-(2-pyridin-4-yl-1H-indol-5-yl)-2-pyridinyl]propan-1-one?
The IUPAC name of 3-pyridin-4-yl-1-[4-(2-pyridin-4-yl-1H-indol-5-yl)-2-pyridinyl]propan-1-one (CID 58506035) is 3-pyridin-4-yl-1-[4-(2-pyridin-4-yl-1H-indol-5-yl)-2-pyridinyl]propan-1-one.
What is the SMILES notation for 3-pyridin-4-yl-1-[4-(2-pyridin-4-yl-1H-indol-5-yl)-2-pyridinyl]propan-1-one?
The canonical SMILES for 3-pyridin-4-yl-1-[4-(2-pyridin-4-yl-1H-indol-5-yl)-2-pyridinyl]propan-1-one is O=C(CCc1ccncc1)c1cc(-c2ccc3[nH]c(-c4ccncc4)cc3c2)ccn1.
What is the InChIKey of 3-pyridin-4-yl-1-[4-(2-pyridin-4-yl-1H-indol-5-yl)-2-pyridinyl]propan-1-one?
The InChIKey is RWECICBBLOZXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O/c31-26(4-1-18-5-10-27-11-6-18)25-16-21(9-14-29-25)20-2-3-23-22(15-20)17-24(30-23)19-7-12-28-13-8-19/h2-3,5-17,30H,1,4H2.
What are the key properties of 3-pyridin-4-yl-1-[4-(2-pyridin-4-yl-1H-indol-5-yl)-2-pyridinyl]propan-1-one?
3-pyridin-4-yl-1-[4-(2-pyridin-4-yl-1H-indol-5-yl)-2-pyridinyl]propan-1-one has a molecular weight of 404.47 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-1-[4-(2-pyridin-4-yl-1H-indol-5-yl)-2-pyridinyl]propan-1-one is sourced from PubChem (CID 58506035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).