1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one

C24H20F3N3O — CID 70823054

IUPAC1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)cc31)CCCC2
InChIInChI=1S/C24H20F3N3O/c1-29-20-5-3-2-4-18(20)19-8-7-17(13-21(19)29)30-11-10-15(12-23(30)31)16-6-9-22(28-14-16)24(25,26)27/h6-14H,2-5H2,1H3
InChIKeyBYJICGZKJDWTSA-UHFFFAOYSA-N
MW423.44 g/mol
LogP5.29
Rot. Bonds2

About 1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one

1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one (PubChem CID 70823054) has the molecular formula C24H20F3N3O and a molecular weight of 423.44 g/mol. Its IUPAC name is 1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one
PubChem CID70823054
Molecular FormulaC24H20F3N3O
Molecular Weight423.44 g/mol
Exact Mass423.16
IUPAC Name1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)cc31)CCCC2
InChIInChI=1S/C24H20F3N3O/c1-29-20-5-3-2-4-18(20)19-8-7-17(13-21(19)29)30-11-10-15(12-23(30)31)16-6-9-22(28-14-16)24(25,26)27/h6-14H,2-5H2,1H3
InChIKeyBYJICGZKJDWTSA-UHFFFAOYSA-N
XLogP5.29
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.44
LogP ≤ 55.29
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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Frequently Asked Questions

What is the IUPAC name of 1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one?
The IUPAC name of 1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one (CID 70823054) is 1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one.
What is the SMILES notation for 1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one?
The canonical SMILES for 1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one is Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)cc31)CCCC2.
What is the InChIKey of 1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one?
The InChIKey is BYJICGZKJDWTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O/c1-29-20-5-3-2-4-18(20)19-8-7-17(13-21(19)29)30-11-10-15(12-23(30)31)16-6-9-22(28-14-16)24(25,26)27/h6-14H,2-5H2,1H3.
What are the key properties of 1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one?
1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one has a molecular weight of 423.44 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one is sourced from PubChem (CID 70823054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).