6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;[6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-3-pyridinyl]methanol

C40H26F24N4O3 — CID 158766168

IUPAC6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;[6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESO=C(O)c1cnc(N2CCC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1C(F)(F)F.OCc1cnc(N2CCC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1C(F)(F)F
InChIInChI=1S/C20H12F12N2O2.C20H14F12N2O/c21-17(22,23)10-3-9(4-11(5-10)18(24,25)26)16(20(30,31)32)1-2-34(8-16)14-6-13(19(27,28)29)12(7-33-14)15(35)36;21-17(22,23)12-3-11(4-13(5-12)18(24,25)26)16(20(30,31)32)1-2-34(9-16)15-6-14(19(27,28)29)10(8-35)7-33-15/h3-7H,1-2,8H2,(H,35,36);3-7,35H,1-2,8-9H2
InChIKeyIPHDDJNBMSPUGD-UHFFFAOYSA-N
MW1066.62 g/mol
LogP12.89
Rot. Bonds6

About 6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;[6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-3-pyridinyl]methanol

6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;[6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 158766168) has the molecular formula C40H26F24N4O3 and a molecular weight of 1066.62 g/mol. Its IUPAC name is 6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;[6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;[6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID158766168
Molecular FormulaC40H26F24N4O3
Molecular Weight1066.62 g/mol
Exact Mass1066.16
IUPAC Name6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;[6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESO=C(O)c1cnc(N2CCC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1C(F)(F)F.OCc1cnc(N2CCC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1C(F)(F)F
InChIInChI=1S/C20H12F12N2O2.C20H14F12N2O/c21-17(22,23)10-3-9(4-11(5-10)18(24,25)26)16(20(30,31)32)1-2-34(8-16)14-6-13(19(27,28)29)12(7-33-14)15(35)36;21-17(22,23)12-3-11(4-13(5-12)18(24,25)26)16(20(30,31)32)1-2-34(9-16)15-6-14(19(27,28)29)10(8-35)7-33-15/h3-7H,1-2,8H2,(H,35,36);3-7,35H,1-2,8-9H2
InChIKeyIPHDDJNBMSPUGD-UHFFFAOYSA-N
XLogP12.89
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001066.62
LogP ≤ 512.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;[6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-3-pyridinyl]methanol with MolForge

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Related Compounds

Methyl 2-{4-(hydroxymethyl)-4-[3-(trifluoromethyl)benzyl]piperidin-1-yl}nicotinate
CID 56744216
2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxylic Acid
CID 9803858
4-Propan-2-yl-2-[4-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 67322870
6-[4-[3-(Trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 68590238
6-[4-Hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 68591183
6-[4-[[2-(Trifluoromethyl)phenyl]methylidene]piperidin-1-yl]pyridine-3-carboxylic acid
CID 69573465
6-[4-[[5-Fluoro-2-(trifluoromethyl)phenyl]methylidene]piperidin-1-yl]pyridine-3-carboxylic acid
CID 69576188
Methyl 6-{3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)-pyrrolidin-1-yl}-4-(trifluoromethyl)nicotinate
CID 87158454
6-{3-[3,5-Bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl}-4-(tri-fluoromethyl)nicotinic acid
CID 87158550
CID 87743231
CID 87743231
Methyl 6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carboxylate
CID 88585389
[6-[3-[3,5-Bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-3-pyridinyl]methanol;2-[[6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-3-pyridinyl]methyl]isoindole-1,3-dione
CID 89963697

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;[6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of 6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;[6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-3-pyridinyl]methanol (CID 158766168) is 6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;[6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for 6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;[6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for 6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;[6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-3-pyridinyl]methanol is O=C(O)c1cnc(N2CCC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1C(F)(F)F.OCc1cnc(N2CCC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1C(F)(F)F.
What is the InChIKey of 6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;[6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is IPHDDJNBMSPUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F12N2O2.C20H14F12N2O/c21-17(22,23)10-3-9(4-11(5-10)18(24,25)26)16(20(30,31)32)1-2-34(8-16)14-6-13(19(27,28)29)12(7-33-14)15(35)36;21-17(22,23)12-3-11(4-13(5-12)18(24,25)26)16(20(30,31)32)1-2-34(9-16)15-6-14(19(27,28)29)10(8-35)7-33-15/h3-7H,1-2,8H2,(H,35,36);3-7,35H,1-2,8-9H2.
What are the key properties of 6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;[6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-3-pyridinyl]methanol?
6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;[6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 1066.62 g/mol, XLogP of 12.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carboxylic acid;[6-[3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 158766168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).