2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine

C126H135F5N12O6 — CID 158277324

IUPAC2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine
SMILESCC(C)c1ncccc1-c1cccc(C(=O)CC2CC2)c1.CC(C)c1ncccc1-c1cccc(OC(F)(F)F)c1.CC(C)c1ncccc1-c1cnc2c(c1)C=CC2.CNC(=O)c1cc(F)cc(-c2cccnc2C(C)C)c1.COC(=O)Nc1ccc(-c2cccnc2C(C)C)cc1.COc1ccc(-c2cccnc2C(C)C)cn1.Cc1cc(-c2cccnc2C(C)C)ccc1F.Cc1ccc(-c2cccnc2C(C)C)cc1
InChIInChI=1S/C19H21NO.C16H17FN2O.C16H18N2O2.C16H16N2.C15H14F3NO.C15H16FN.C15H17N.C14H16N2O/c1-13(2)19-17(7-4-10-20-19)15-5-3-6-16(12-15)18(21)11-14-8-9-14;1-10(2)15-14(5-4-6-19-15)11-7-12(16(20)18-3)9-13(17)8-11;1-11(2)15-14(5-4-10-17-15)12-6-8-13(9-7-12)18-16(19)20-3;1-11(2)16-14(6-4-8-17-16)13-9-12-5-3-7-15(12)18-10-13;1-10(2)14-13(7-4-8-19-14)11-5-3-6-12(9-11)20-15(16,17)18;1-10(2)15-13(5-4-8-17-15)12-6-7-14(16)11(3)9-12;1-11(2)15-14(5-4-10-16-15)13-8-6-12(3)7-9-13;1-10(2)14-12(5-4-8-15-14)11-6-7-13(17-3)16-9-11/h3-7,10,12-14H,8-9,11H2,1-2H3;4-10H,1-3H3,(H,18,20);4-11H,1-3H3,(H,18,19);3-6,8-11H,7H2,1-2H3;3-10H,1-2H3;4-10H,1-3H3;4-11H,1-3H3;4-10H,1-3H3
InChIKeyGJTPCYJVGMJTKZ-UHFFFAOYSA-N
MW2008.53 g/mol
LogP32.66
Rot. Bonds23

About 2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine

2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine (PubChem CID 158277324) has the molecular formula C126H135F5N12O6 and a molecular weight of 2008.53 g/mol. Its IUPAC name is 2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine
PubChem CID158277324
Molecular FormulaC126H135F5N12O6
Molecular Weight2008.53 g/mol
Exact Mass2007.05
IUPAC Name2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine
SMILESCC(C)c1ncccc1-c1cccc(C(=O)CC2CC2)c1.CC(C)c1ncccc1-c1cccc(OC(F)(F)F)c1.CC(C)c1ncccc1-c1cnc2c(c1)C=CC2.CNC(=O)c1cc(F)cc(-c2cccnc2C(C)C)c1.COC(=O)Nc1ccc(-c2cccnc2C(C)C)cc1.COc1ccc(-c2cccnc2C(C)C)cn1.Cc1cc(-c2cccnc2C(C)C)ccc1F.Cc1ccc(-c2cccnc2C(C)C)cc1
InChIInChI=1S/C19H21NO.C16H17FN2O.C16H18N2O2.C16H16N2.C15H14F3NO.C15H16FN.C15H17N.C14H16N2O/c1-13(2)19-17(7-4-10-20-19)15-5-3-6-16(12-15)18(21)11-14-8-9-14;1-10(2)15-14(5-4-6-19-15)11-7-12(16(20)18-3)9-13(17)8-11;1-11(2)15-14(5-4-10-17-15)12-6-8-13(9-7-12)18-16(19)20-3;1-11(2)16-14(6-4-8-17-16)13-9-12-5-3-7-15(12)18-10-13;1-10(2)14-13(7-4-8-19-14)11-5-3-6-12(9-11)20-15(16,17)18;1-10(2)15-13(5-4-8-17-15)12-6-7-14(16)11(3)9-12;1-11(2)15-14(5-4-10-16-15)13-8-6-12(3)7-9-13;1-10(2)14-12(5-4-8-15-14)11-6-7-13(17-3)16-9-11/h3-7,10,12-14H,8-9,11H2,1-2H3;4-10H,1-3H3,(H,18,20);4-11H,1-3H3,(H,18,19);3-6,8-11H,7H2,1-2H3;3-10H,1-2H3;4-10H,1-3H3;4-11H,1-3H3;4-10H,1-3H3
InChIKeyGJTPCYJVGMJTKZ-UHFFFAOYSA-N
XLogP32.66
TPSA231.86 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms149
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002008.53
LogP ≤ 532.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine (CID 158277324) is 2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine is CC(C)c1ncccc1-c1cccc(C(=O)CC2CC2)c1.CC(C)c1ncccc1-c1cccc(OC(F)(F)F)c1.CC(C)c1ncccc1-c1cnc2c(c1)C=CC2.CNC(=O)c1cc(F)cc(-c2cccnc2C(C)C)c1.COC(=O)Nc1ccc(-c2cccnc2C(C)C)cc1.COc1ccc(-c2cccnc2C(C)C)cn1.Cc1cc(-c2cccnc2C(C)C)ccc1F.Cc1ccc(-c2cccnc2C(C)C)cc1.
What is the InChIKey of 2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is GJTPCYJVGMJTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO.C16H17FN2O.C16H18N2O2.C16H16N2.C15H14F3NO.C15H16FN.C15H17N.C14H16N2O/c1-13(2)19-17(7-4-10-20-19)15-5-3-6-16(12-15)18(21)11-14-8-9-14;1-10(2)15-14(5-4-6-19-15)11-7-12(16(20)18-3)9-13(17)8-11;1-11(2)15-14(5-4-10-17-15)12-6-8-13(9-7-12)18-16(19)20-3;1-11(2)16-14(6-4-8-17-16)13-9-12-5-3-7-15(12)18-10-13;1-10(2)14-13(7-4-8-19-14)11-5-3-6-12(9-11)20-15(16,17)18;1-10(2)15-13(5-4-8-17-15)12-6-7-14(16)11(3)9-12;1-11(2)15-14(5-4-10-16-15)13-8-6-12(3)7-9-13;1-10(2)14-12(5-4-8-15-14)11-6-7-13(17-3)16-9-11/h3-7,10,12-14H,8-9,11H2,1-2H3;4-10H,1-3H3,(H,18,20);4-11H,1-3H3,(H,18,19);3-6,8-11H,7H2,1-2H3;3-10H,1-2H3;4-10H,1-3H3;4-11H,1-3H3;4-10H,1-3H3.
What are the key properties of 2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine?
2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 2008.53 g/mol, XLogP of 32.66, 23 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;3-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyridine;3-fluoro-N-methyl-5-(2-propan-2-yl-3-pyridinyl)benzamide;2-methoxy-5-(2-propan-2-yl-3-pyridinyl)pyridine;3-(4-methylphenyl)-2-propan-2-ylpyridine;methyl N-[4-(2-propan-2-yl-3-pyridinyl)phenyl]carbamate;3-(2-propan-2-yl-3-pyridinyl)-7H-cyclopenta[b]pyridine;2-propan-2-yl-3-[3-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 158277324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).