1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-fluorophenyl)pyridin-2-one

C24H22FN3O — CID 52944997

IUPAC1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-fluorophenyl)pyridin-2-one
SMILESCN1CCc2c(c3ccc(-n4ccc(-c5ccc(F)cc5)cc4=O)cc3n2C)C1
InChIInChI=1S/C24H22FN3O/c1-26-11-10-22-21(15-26)20-8-7-19(14-23(20)27(22)2)28-12-9-17(13-24(28)29)16-3-5-18(25)6-4-16/h3-9,12-14H,10-11,15H2,1-2H3
InChIKeyPLNWLTBZTOTUTI-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.12
Rot. Bonds2

About 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-fluorophenyl)pyridin-2-one

1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-fluorophenyl)pyridin-2-one (PubChem CID 52944997) has the molecular formula C24H22FN3O and a molecular weight of 387.46 g/mol. Its IUPAC name is 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-fluorophenyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-fluorophenyl)pyridin-2-one
PubChem CID52944997
Molecular FormulaC24H22FN3O
Molecular Weight387.46 g/mol
Exact Mass387.17
IUPAC Name1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-fluorophenyl)pyridin-2-one
SMILESCN1CCc2c(c3ccc(-n4ccc(-c5ccc(F)cc5)cc4=O)cc3n2C)C1
InChIInChI=1S/C24H22FN3O/c1-26-11-10-22-21(15-26)20-8-7-19(14-23(20)27(22)2)28-12-9-17(13-24(28)29)16-3-5-18(25)6-4-16/h3-9,12-14H,10-11,15H2,1-2H3
InChIKeyPLNWLTBZTOTUTI-UHFFFAOYSA-N
XLogP4.12
TPSA30.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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CID 50903153
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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-fluorophenyl)pyridin-2-one?
The IUPAC name of 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-fluorophenyl)pyridin-2-one (CID 52944997) is 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-fluorophenyl)pyridin-2-one.
What is the SMILES notation for 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-fluorophenyl)pyridin-2-one?
The canonical SMILES for 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-fluorophenyl)pyridin-2-one is CN1CCc2c(c3ccc(-n4ccc(-c5ccc(F)cc5)cc4=O)cc3n2C)C1.
What is the InChIKey of 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-fluorophenyl)pyridin-2-one?
The InChIKey is PLNWLTBZTOTUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O/c1-26-11-10-22-21(15-26)20-8-7-19(14-23(20)27(22)2)28-12-9-17(13-24(28)29)16-3-5-18(25)6-4-16/h3-9,12-14H,10-11,15H2,1-2H3.
What are the key properties of 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-fluorophenyl)pyridin-2-one?
1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-fluorophenyl)pyridin-2-one has a molecular weight of 387.46 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-fluorophenyl)pyridin-2-one is sourced from PubChem (CID 52944997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).