1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone — IUPAC name, SMILES, InChIKey & properties

Name: 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone

1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone (PubChem CID 158235581) has the molecular formula C87H100F12N14O6 and a molecular weight of 1665.82 g/mol. Its IUPAC name is 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name	1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
PubChem CID	158235581
Molecular Formula	C87H100F12N14O6
Molecular Weight	1665.82 g/mol
Exact Mass	1664.78
IUPAC Name	1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
SMILES	CC(=O)N1CCc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)nn(C)c2C1.CCn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CN(C(C)=O)CC2.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCCC2.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCCC2
InChI	InChI=1S/C23H27F3N4O2.C22H25F3N4O2.2C21H24F3N3O/c1-3-30-20-14-29(15(2)31)13-10-18(20)21(27-30)22(32)28-11-8-16(9-12-28)17-6-4-5-7-19(17)23(24,25)26;1-14(30)29-12-9-17-19(13-29)27(2)26-20(17)21(31)28-10-7-15(8-11-28)16-5-3-4-6-18(16)22(23,24)25;21-26-18-9-5-3-7-16(18)19(25-26)20(28)27-12-10-14(11-13-27)15-6-2-4-8-17(15)21(22,23)24/h4-7,16H,3,8-14H2,1-2H3;3-6,15H,7-13H2,1-2H3;22,4,6,8,14H,3,5,7,9-13H2,1H3
InChIKey	GEXNACVGZVJWEF-UHFFFAOYSA-N
XLogP	15.88
TPSA	193.14 Å²
H-Bond Donors
H-Bond Acceptors	14
Rotatable Bonds	9
Heavy Atoms	119
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1665.82
LogP ≤ 5	15.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Analyze 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone?

The IUPAC name of 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone (CID 158235581) is 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone.

What is the SMILES notation for 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone?

The canonical SMILES for 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone is CC(=O)N1CCc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)nn(C)c2C1.CCn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CN(C(C)=O)CC2.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCCC2.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCCC2.

What is the InChIKey of 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone?

The InChIKey is GEXNACVGZVJWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O2.C22H25F3N4O2.2C21H24F3N3O/c1-3-30-20-14-29(15(2)31)13-10-18(20)21(27-30)22(32)28-11-8-16(9-12-28)17-6-4-5-7-19(17)23(24,25)26;1-14(30)29-12-9-17-19(13-29)27(2)26-20(17)21(31)28-10-7-15(8-11-28)16-5-3-4-6-18(16)22(23,24)25;2*1-26-18-9-5-3-7-16(18)19(25-26)20(28)27-12-10-14(11-13-27)15-6-2-4-8-17(15)21(22,23)24/h4-7,16H,3,8-14H2,1-2H3;3-6,15H,7-13H2,1-2H3;2*2,4,6,8,14H,3,5,7,9-13H2,1H3.

What are the key properties of 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone?

Where does this data come from?

All data for 1-[1-ethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;bis((1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);1-[1-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone is sourced from PubChem (CID 158235581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).