1-(5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one

C24H23F3N4O2 — CID 70823052

IUPAC1-(5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one
SMILESCN1c2cc(-n3ccc(OCc4ccc(C(F)(F)F)nc4)cc3=O)ccc2C2CNCCC21
InChIInChI=1S/C24H23F3N4O2/c1-30-20-6-8-28-13-19(20)18-4-3-16(10-21(18)30)31-9-7-17(11-23(31)32)33-14-15-2-5-22(29-12-15)24(25,26)27/h2-5,7,9-12,19-20,28H,6,8,13-14H2,1H3
InChIKeyXUCRLCRDQZGGAA-UHFFFAOYSA-N
MW456.47 g/mol
LogP3.73
Rot. Bonds4

About 1-(5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one

1-(5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one (PubChem CID 70823052) has the molecular formula C24H23F3N4O2 and a molecular weight of 456.47 g/mol. Its IUPAC name is 1-(5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-(5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one
PubChem CID70823052
Molecular FormulaC24H23F3N4O2
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC Name1-(5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one
SMILESCN1c2cc(-n3ccc(OCc4ccc(C(F)(F)F)nc4)cc3=O)ccc2C2CNCCC21
InChIInChI=1S/C24H23F3N4O2/c1-30-20-6-8-28-13-19(20)18-4-3-16(10-21(18)30)31-9-7-17(11-23(31)32)33-14-15-2-5-22(29-12-15)24(25,26)27/h2-5,7,9-12,19-20,28H,6,8,13-14H2,1H3
InChIKeyXUCRLCRDQZGGAA-UHFFFAOYSA-N
XLogP3.73
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(9-methyl-1,2,3,4,4a,9a-hexahydropyrido[3,4-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
CID 70823061
1-(9-methyl-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one
CID 50903234
1-(10-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-8-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one;hydrochloride
CID 66603160
1-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one
CID 67988859
(4aS,9bR)-8-(cyclopropylmethoxy)-5-methyl-6-(trifluoromethyl)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole
CID 58700358
(4aS,9bR)-8-butoxy-5-methyl-6-(trifluoromethyl)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole
CID 58700368
(4aR,9bS)-8-(3,3-dimethylbutoxy)-5-methyl-6-(trifluoromethyl)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole
CID 21056677
4-[(4-fluorophenyl)methoxy]-1-(4-hydroxyphenyl)pyridin-2-one
CID 67456822
5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride
CID 146675581
5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)pyridine
CID 59391394
1-(2-acetyl-3H-benzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one
CID 123190083
(4aR,9bS)-8-(cyclopentylmethoxy)-5-methyl-6-(trifluoromethyl)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole
CID 21056699

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one?
The IUPAC name of 1-(5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one (CID 70823052) is 1-(5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one.
What is the SMILES notation for 1-(5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one?
The canonical SMILES for 1-(5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one is CN1c2cc(-n3ccc(OCc4ccc(C(F)(F)F)nc4)cc3=O)ccc2C2CNCCC21.
What is the InChIKey of 1-(5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one?
The InChIKey is XUCRLCRDQZGGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O2/c1-30-20-6-8-28-13-19(20)18-4-3-16(10-21(18)30)31-9-7-17(11-23(31)32)33-14-15-2-5-22(29-12-15)24(25,26)27/h2-5,7,9-12,19-20,28H,6,8,13-14H2,1H3.
What are the key properties of 1-(5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one?
1-(5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one has a molecular weight of 456.47 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-7-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one is sourced from PubChem (CID 70823052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).