3-(3,5-difluorophenyl)-1,6,9-trimethylpyrido[2,3-b]indol-2-one

C20H16F2N2O — CID 10427235

IUPAC3-(3,5-difluorophenyl)-1,6,9-trimethylpyrido[2,3-b]indol-2-one
SMILESCc1ccc2c(c1)c1cc(-c3cc(F)cc(F)c3)c(=O)n(C)c1n2C
InChIInChI=1S/C20H16F2N2O/c1-11-4-5-18-16(6-11)17-10-15(12-7-13(21)9-14(22)8-12)20(25)24(3)19(17)23(18)2/h4-10H,1-3H3
InChIKeyIHAIYPCZBKTKCB-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.28
Rot. Bonds1

About 3-(3,5-difluorophenyl)-1,6,9-trimethylpyrido[2,3-b]indol-2-one

3-(3,5-difluorophenyl)-1,6,9-trimethylpyrido[2,3-b]indol-2-one (PubChem CID 10427235) has the molecular formula C20H16F2N2O and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-1,6,9-trimethylpyrido[2,3-b]indol-2-one.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-1,6,9-trimethylpyrido[2,3-b]indol-2-one
PubChem CID10427235
Molecular FormulaC20H16F2N2O
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name3-(3,5-difluorophenyl)-1,6,9-trimethylpyrido[2,3-b]indol-2-one
SMILESCc1ccc2c(c1)c1cc(-c3cc(F)cc(F)c3)c(=O)n(C)c1n2C
InChIInChI=1S/C20H16F2N2O/c1-11-4-5-18-16(6-11)17-10-15(12-7-13(21)9-14(22)8-12)20(25)24(3)19(17)23(18)2/h4-10H,1-3H3
InChIKeyIHAIYPCZBKTKCB-UHFFFAOYSA-N
XLogP4.28
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorobenzyl)-2,3-dimethyl-N-(1-phenylpropyl)-1H-indole-5-carboxamide
CID 71075321
N-(1-Ethyl-5-methyl-1H-indol-2-ylmethyl)-2-fluoro-benzamide
CID 6498756
1-Benzyl-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2,3-dimethyl-1H-indole
CID 16025869
N-Ethyl-1-[(4-fluorophenyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 20940223
(9-pentyl-9H-carbazol-3-yl)(piperidin-1-yl)methanone
CID 46871949
N,N-diethyl-9-pentyl-9H-carbazole-3-carboxamide
CID 56650683
1-Benzyl-N-[(2-fluorophenyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 16025840
Piperidin-1-yl-(9-propylcarbazol-3-yl)methanone
CID 73354104
(9-Butylcarbazol-3-yl)-piperidin-1-ylmethanone
CID 73354105
(9-Hexylcarbazol-3-yl)-piperidin-1-ylmethanone
CID 73357171
17-Fluoro-6,21-dimethyl-10,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2,4(9),5,7,15(20),16,18-heptaen-14-one
CID 86344971
1,3-Dimethyl-5-[1-(9-methylcarbazol-3-yl)ethenyl]pyrimidine-2,4-dione
CID 155560748

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-1,6,9-trimethylpyrido[2,3-b]indol-2-one?
The IUPAC name of 3-(3,5-difluorophenyl)-1,6,9-trimethylpyrido[2,3-b]indol-2-one (CID 10427235) is 3-(3,5-difluorophenyl)-1,6,9-trimethylpyrido[2,3-b]indol-2-one.
What is the SMILES notation for 3-(3,5-difluorophenyl)-1,6,9-trimethylpyrido[2,3-b]indol-2-one?
The canonical SMILES for 3-(3,5-difluorophenyl)-1,6,9-trimethylpyrido[2,3-b]indol-2-one is Cc1ccc2c(c1)c1cc(-c3cc(F)cc(F)c3)c(=O)n(C)c1n2C.
What is the InChIKey of 3-(3,5-difluorophenyl)-1,6,9-trimethylpyrido[2,3-b]indol-2-one?
The InChIKey is IHAIYPCZBKTKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O/c1-11-4-5-18-16(6-11)17-10-15(12-7-13(21)9-14(22)8-12)20(25)24(3)19(17)23(18)2/h4-10H,1-3H3.
What are the key properties of 3-(3,5-difluorophenyl)-1,6,9-trimethylpyrido[2,3-b]indol-2-one?
3-(3,5-difluorophenyl)-1,6,9-trimethylpyrido[2,3-b]indol-2-one has a molecular weight of 338.36 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-1,6,9-trimethylpyrido[2,3-b]indol-2-one is sourced from PubChem (CID 10427235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).