2-[2-[2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-4-pyridinyl]ethanol

C20H20F3N3O — CID 123708976

About 2-[2-[2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-4-pyridinyl]ethanol

2-[2-[2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-4-pyridinyl]ethanol (PubChem CID 123708976) has the molecular formula C20H20F3N3O and a molecular weight of 375.39 g/mol. Its IUPAC name is 2-[2-[2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-4-pyridinyl]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-4-pyridinyl]ethanol
• PubChem CID: 123708976
• Molecular Formula: C20H20F3N3O
• Molecular Weight: 375.39 g/mol
• Exact Mass: 375.16
• IUPAC Name: 2-[2-[2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-4-pyridinyl]ethanol
• SMILES: CN1CCc2c(c3cc(C(F)(F)F)ccc3n2-c2cc(CCO)ccn2)C1
• InChI: InChI=1S/C20H20F3N3O/c1-25-8-5-18-16(12-25)15-11-14(20(21,22)23)2-3-17(15)26(18)19-10-13(6-9-27)4-7-24-19/h2-4,7,10-11,27H,5-6,8-9,12H2,1H3
• InChIKey: VWQGOFPWMFFQSA-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 41.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.39
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-4-pyridinyl]ethanol?

The IUPAC name of 2-[2-[2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-4-pyridinyl]ethanol (CID 123708976) is 2-[2-[2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-4-pyridinyl]ethanol.

What is the SMILES notation for 2-[2-[2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-4-pyridinyl]ethanol?

The canonical SMILES for 2-[2-[2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-4-pyridinyl]ethanol is CN1CCc2c(c3cc(C(F)(F)F)ccc3n2-c2cc(CCO)ccn2)C1.

What is the InChIKey of 2-[2-[2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-4-pyridinyl]ethanol?

The InChIKey is VWQGOFPWMFFQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O/c1-25-8-5-18-16(12-25)15-11-14(20(21,22)23)2-3-17(15)26(18)19-10-13(6-9-27)4-7-24-19/h2-4,7,10-11,27H,5-6,8-9,12H2,1H3.

What are the key properties of 2-[2-[2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-4-pyridinyl]ethanol?

2-[2-[2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-4-pyridinyl]ethanol has a molecular weight of 375.39 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-4-pyridinyl]ethanol is sourced from PubChem (CID 123708976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).