ethane;3-methyl-4-pyridin-3-yl-8-(trifluoromethyl)-1,5-dihydropyrido[3,2-b]indol-2-one

C20H18F3N3O — CID 144861937

IUPACethane;3-methyl-4-pyridin-3-yl-8-(trifluoromethyl)-1,5-dihydropyrido[3,2-b]indol-2-one
SMILESCC.Cc1c(-c2cccnc2)c2[nH]c3ccc(C(F)(F)F)cc3c2[nH]c1=O
InChIInChI=1S/C18H12F3N3O.C2H6/c1-9-14(10-3-2-6-22-8-10)16-15(24-17(9)25)12-7-11(18(19,20)21)4-5-13(12)23-16;1-2/h2-8,23H,1H3,(H,24,25);1-2H3
InChIKeyDDJNBUKBISCFTG-UHFFFAOYSA-N
MW373.38 g/mol
LogP5.42
Rot. Bonds1

About ethane;3-methyl-4-pyridin-3-yl-8-(trifluoromethyl)-1,5-dihydropyrido[3,2-b]indol-2-one

ethane;3-methyl-4-pyridin-3-yl-8-(trifluoromethyl)-1,5-dihydropyrido[3,2-b]indol-2-one (PubChem CID 144861937) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is ethane;3-methyl-4-pyridin-3-yl-8-(trifluoromethyl)-1,5-dihydropyrido[3,2-b]indol-2-one.

Molecular Properties

Compound Nameethane;3-methyl-4-pyridin-3-yl-8-(trifluoromethyl)-1,5-dihydropyrido[3,2-b]indol-2-one
PubChem CID144861937
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Nameethane;3-methyl-4-pyridin-3-yl-8-(trifluoromethyl)-1,5-dihydropyrido[3,2-b]indol-2-one
SMILESCC.Cc1c(-c2cccnc2)c2[nH]c3ccc(C(F)(F)F)cc3c2[nH]c1=O
InChIInChI=1S/C18H12F3N3O.C2H6/c1-9-14(10-3-2-6-22-8-10)16-15(24-17(9)25)12-7-11(18(19,20)21)4-5-13(12)23-16;1-2/h2-8,23H,1H3,(H,24,25);1-2H3
InChIKeyDDJNBUKBISCFTG-UHFFFAOYSA-N
XLogP5.42
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.38
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,8-dimethyl-4-pyridin-3-yl-1,5-dihydropyrido[3,2-b]indol-2-one
CID 118156338
3-pyridin-3-yl-6-(trifluoromethyl)-9H-pyrido[3,4-b]indole
CID 53244604
3-pyridin-3-yl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261306
3-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]pyridine
CID 46316443
3-[3,5-bis(trifluoromethyl)phenyl]pyridine
CID 46315288
2-pyridin-3-yl-5-(trifluoromethyl)phenol
CID 46317345
4-pyridin-3-yl-10H-azepino[3,4-b]indole-1,3-dione
CID 101095307
3-methyl-4-[3-(1,2,4-oxadiazol-3-yl)phenyl]-1,5-dihydropyrido[3,2-b]indol-2-one
CID 118140094
9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(5-methyl-2-pyridinyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole;9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-dipyridin-3-ylanthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
CID 159051321
formic acid;2-pyridin-3-yl-5-(trifluoromethyl)phenol
CID 175894605
3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine
CID 46317325
3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-5-(trifluoromethyl)-1H-indole
CID 10149294

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-4-pyridin-3-yl-8-(trifluoromethyl)-1,5-dihydropyrido[3,2-b]indol-2-one?
The IUPAC name of ethane;3-methyl-4-pyridin-3-yl-8-(trifluoromethyl)-1,5-dihydropyrido[3,2-b]indol-2-one (CID 144861937) is ethane;3-methyl-4-pyridin-3-yl-8-(trifluoromethyl)-1,5-dihydropyrido[3,2-b]indol-2-one.
What is the SMILES notation for ethane;3-methyl-4-pyridin-3-yl-8-(trifluoromethyl)-1,5-dihydropyrido[3,2-b]indol-2-one?
The canonical SMILES for ethane;3-methyl-4-pyridin-3-yl-8-(trifluoromethyl)-1,5-dihydropyrido[3,2-b]indol-2-one is CC.Cc1c(-c2cccnc2)c2[nH]c3ccc(C(F)(F)F)cc3c2[nH]c1=O.
What is the InChIKey of ethane;3-methyl-4-pyridin-3-yl-8-(trifluoromethyl)-1,5-dihydropyrido[3,2-b]indol-2-one?
The InChIKey is DDJNBUKBISCFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O.C2H6/c1-9-14(10-3-2-6-22-8-10)16-15(24-17(9)25)12-7-11(18(19,20)21)4-5-13(12)23-16;1-2/h2-8,23H,1H3,(H,24,25);1-2H3.
What are the key properties of ethane;3-methyl-4-pyridin-3-yl-8-(trifluoromethyl)-1,5-dihydropyrido[3,2-b]indol-2-one?
ethane;3-methyl-4-pyridin-3-yl-8-(trifluoromethyl)-1,5-dihydropyrido[3,2-b]indol-2-one has a molecular weight of 373.38 g/mol, XLogP of 5.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-4-pyridin-3-yl-8-(trifluoromethyl)-1,5-dihydropyrido[3,2-b]indol-2-one is sourced from PubChem (CID 144861937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).