5,6,7,8-tetrahydrocinnolin-3-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C19H20F3N5O — CID 146080311

About 5,6,7,8-tetrahydrocinnolin-3-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

5,6,7,8-tetrahydrocinnolin-3-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 146080311) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is 5,6,7,8-tetrahydrocinnolin-3-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: 5,6,7,8-tetrahydrocinnolin-3-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
• PubChem CID: 146080311
• Molecular Formula: C19H20F3N5O
• Molecular Weight: 391.40 g/mol
• Exact Mass: 391.16
• IUPAC Name: 5,6,7,8-tetrahydrocinnolin-3-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
• SMILES: O=C(c1cc2c(nn1)CCCC2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
• InChI: InChI=1S/C19H20F3N5O/c20-19(21,22)14-5-6-17(23-12-14)26-7-9-27(10-8-26)18(28)16-11-13-3-1-2-4-15(13)24-25-16/h5-6,11-12H,1-4,7-10H2
• InChIKey: GAINRUSMLPGWKL-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 62.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.40
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydrocinnolin-3-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?

The IUPAC name of 5,6,7,8-tetrahydrocinnolin-3-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 146080311) is 5,6,7,8-tetrahydrocinnolin-3-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

What is the SMILES notation for 5,6,7,8-tetrahydrocinnolin-3-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?

The canonical SMILES for 5,6,7,8-tetrahydrocinnolin-3-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is O=C(c1cc2c(nn1)CCCC2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.

What is the InChIKey of 5,6,7,8-tetrahydrocinnolin-3-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?

The InChIKey is GAINRUSMLPGWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c20-19(21,22)14-5-6-17(23-12-14)26-7-9-27(10-8-26)18(28)16-11-13-3-1-2-4-15(13)24-25-16/h5-6,11-12H,1-4,7-10H2.

What are the key properties of 5,6,7,8-tetrahydrocinnolin-3-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?

5,6,7,8-tetrahydrocinnolin-3-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 391.40 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6,7,8-tetrahydrocinnolin-3-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 146080311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).