6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;6-fluoro-3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole

C38H42F6N8 — CID 157351586

IUPAC6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;6-fluoro-3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole
SMILESFCCN1CCC(Cn2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1.Fc1ccc2c(-c3cnn(CC4CCN(CC(F)(F)F)CC4)c3)c[nH]c2c1
InChIInChI=1S/C19H20F4N4.C19H22F2N4/c20-15-1-2-16-17(9-24-18(16)7-15)14-8-25-27(11-14)10-13-3-5-26(6-4-13)12-19(21,22)23;20-5-8-24-6-3-14(4-7-24)12-25-13-15(10-23-25)18-11-22-19-9-16(21)1-2-17(18)19/h1-2,7-9,11,13,24H,3-6,10,12H2;1-2,9-11,13-14,22H,3-8,12H2
InChIKeyBHPFJCGZNYVLEJ-UHFFFAOYSA-N
MW724.80 g/mol
LogP8.30
Rot. Bonds9

About 6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;6-fluoro-3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole

6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;6-fluoro-3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole (PubChem CID 157351586) has the molecular formula C38H42F6N8 and a molecular weight of 724.80 g/mol. Its IUPAC name is 6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;6-fluoro-3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;6-fluoro-3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole
PubChem CID157351586
Molecular FormulaC38H42F6N8
Molecular Weight724.80 g/mol
Exact Mass724.34
IUPAC Name6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;6-fluoro-3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole
SMILESFCCN1CCC(Cn2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1.Fc1ccc2c(-c3cnn(CC4CCN(CC(F)(F)F)CC4)c3)c[nH]c2c1
InChIInChI=1S/C19H20F4N4.C19H22F2N4/c20-15-1-2-16-17(9-24-18(16)7-15)14-8-25-27(11-14)10-13-3-5-26(6-4-13)12-19(21,22)23;20-5-8-24-6-3-14(4-7-24)12-25-13-15(10-23-25)18-11-22-19-9-16(21)1-2-17(18)19/h1-2,7-9,11,13,24H,3-6,10,12H2;1-2,9-11,13-14,22H,3-8,12H2
InChIKeyBHPFJCGZNYVLEJ-UHFFFAOYSA-N
XLogP8.30
TPSA73.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.80
LogP ≤ 58.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;6-fluoro-3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole with MolForge

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Related Compounds

5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
10,20-Bis(1-methylpyridin-1-ium-4-yl)-5,15-diphenyl-21,22-dihydroporphyrin diiodide
CID 136026482
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137039626
US10660877, Example 692
CID 139447345
1-(2-fluorophenyl)-2-[3-(1H-pyrazol-1-yl)propyl]-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16188755
1-isobutyl-2-[3-(1H-pyrazol-1-yl)propyl]-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16190217
1-cyclohexyl-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16191309
5-fluoro-3-[3-[4-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155513342
[4-[4-(1H-indol-6-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 156017174
(1S)-2,2,2-trifluoro-1-[4-[4-(1H-indol-6-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanamine
CID 156017271
4-[4-(1H-indol-6-yl)-3-(trifluoromethyl)pyrazol-1-yl]butan-1-amine
CID 156020656
1-(2-methylphenyl)-2-[3-(1H-pyrazol-1-yl)propyl]-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16190309

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;6-fluoro-3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole?
The IUPAC name of 6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;6-fluoro-3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole (CID 157351586) is 6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;6-fluoro-3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole.
What is the SMILES notation for 6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;6-fluoro-3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole?
The canonical SMILES for 6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;6-fluoro-3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole is FCCN1CCC(Cn2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1.Fc1ccc2c(-c3cnn(CC4CCN(CC(F)(F)F)CC4)c3)c[nH]c2c1.
What is the InChIKey of 6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;6-fluoro-3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole?
The InChIKey is BHPFJCGZNYVLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N4.C19H22F2N4/c20-15-1-2-16-17(9-24-18(16)7-15)14-8-25-27(11-14)10-13-3-5-26(6-4-13)12-19(21,22)23;20-5-8-24-6-3-14(4-7-24)12-25-13-15(10-23-25)18-11-22-19-9-16(21)1-2-17(18)19/h1-2,7-9,11,13,24H,3-6,10,12H2;1-2,9-11,13-14,22H,3-8,12H2.
What are the key properties of 6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;6-fluoro-3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole?
6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;6-fluoro-3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole has a molecular weight of 724.80 g/mol, XLogP of 8.30, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole;6-fluoro-3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazol-4-yl]-1H-indole is sourced from PubChem (CID 157351586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).