2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;2-(3-fluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1-[1-(4-methylphenyl)propyl]-4-propan-2-yltriazole;2-phenoxy-3-propan-2-ylpyridine;2-piperidin-1-yl-3-propan-2-ylpyridine;1-(3-propan-2-yl-2-pyridinyl)pyrrolidin-3-ol

C78H107F3N12O2 — CID 161251313

IUPAC2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;2-(3-fluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1-[1-(4-methylphenyl)propyl]-4-propan-2-yltriazole;2-phenoxy-3-propan-2-ylpyridine;2-piperidin-1-yl-3-propan-2-ylpyridine;1-(3-propan-2-yl-2-pyridinyl)pyrrolidin-3-ol
SMILESCC(C)c1cccnc1N1CCC(F)(F)C1.CC(C)c1cccnc1N1CCC(F)C1.CC(C)c1cccnc1N1CCC(O)C1.CC(C)c1cccnc1N1CCCCC1.CC(C)c1cccnc1Oc1ccccc1.CCC(c1ccc(C)cc1)n1cc(C(C)C)nn1
InChIInChI=1S/C15H21N3.C14H15NO.C13H20N2.C12H16F2N2.C12H17FN2.C12H18N2O/c1-5-15(13-8-6-12(4)7-9-13)18-10-14(11(2)3)16-17-18;1-11(2)13-9-6-10-15-14(13)16-12-7-4-3-5-8-12;1-11(2)12-7-6-8-14-13(12)15-9-4-3-5-10-15;1-9(2)10-4-3-6-15-11(10)16-7-5-12(13,14)8-16;1-9(2)11-4-3-6-14-12(11)15-7-5-10(13)8-15;1-9(2)11-4-3-6-13-12(11)14-7-5-10(15)8-14/h6-11,15H,5H2,1-4H3;3-11H,1-2H3;6-8,11H,3-5,9-10H2,1-2H3;3-4,6,9H,5,7-8H2,1-2H3;3-4,6,9-10H,5,7-8H2,1-2H3;3-4,6,9-10,15H,5,7-8H2,1-2H3
InChIKeyVBHRNYWIPRKWIS-UHFFFAOYSA-N
MW1301.79 g/mol
LogP18.48
Rot. Bonds15

About 2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;2-(3-fluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1-[1-(4-methylphenyl)propyl]-4-propan-2-yltriazole;2-phenoxy-3-propan-2-ylpyridine;2-piperidin-1-yl-3-propan-2-ylpyridine;1-(3-propan-2-yl-2-pyridinyl)pyrrolidin-3-ol

2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;2-(3-fluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1-[1-(4-methylphenyl)propyl]-4-propan-2-yltriazole;2-phenoxy-3-propan-2-ylpyridine;2-piperidin-1-yl-3-propan-2-ylpyridine;1-(3-propan-2-yl-2-pyridinyl)pyrrolidin-3-ol (PubChem CID 161251313) has the molecular formula C78H107F3N12O2 and a molecular weight of 1301.79 g/mol. Its IUPAC name is 2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;2-(3-fluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1-[1-(4-methylphenyl)propyl]-4-propan-2-yltriazole;2-phenoxy-3-propan-2-ylpyridine;2-piperidin-1-yl-3-propan-2-ylpyridine;1-(3-propan-2-yl-2-pyridinyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;2-(3-fluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1-[1-(4-methylphenyl)propyl]-4-propan-2-yltriazole;2-phenoxy-3-propan-2-ylpyridine;2-piperidin-1-yl-3-propan-2-ylpyridine;1-(3-propan-2-yl-2-pyridinyl)pyrrolidin-3-ol
PubChem CID161251313
Molecular FormulaC78H107F3N12O2
Molecular Weight1301.79 g/mol
Exact Mass1300.86
IUPAC Name2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;2-(3-fluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1-[1-(4-methylphenyl)propyl]-4-propan-2-yltriazole;2-phenoxy-3-propan-2-ylpyridine;2-piperidin-1-yl-3-propan-2-ylpyridine;1-(3-propan-2-yl-2-pyridinyl)pyrrolidin-3-ol
SMILESCC(C)c1cccnc1N1CCC(F)(F)C1.CC(C)c1cccnc1N1CCC(F)C1.CC(C)c1cccnc1N1CCC(O)C1.CC(C)c1cccnc1N1CCCCC1.CC(C)c1cccnc1Oc1ccccc1.CCC(c1ccc(C)cc1)n1cc(C(C)C)nn1
InChIInChI=1S/C15H21N3.C14H15NO.C13H20N2.C12H16F2N2.C12H17FN2.C12H18N2O/c1-5-15(13-8-6-12(4)7-9-13)18-10-14(11(2)3)16-17-18;1-11(2)13-9-6-10-15-14(13)16-12-7-4-3-5-8-12;1-11(2)12-7-6-8-14-13(12)15-9-4-3-5-10-15;1-9(2)10-4-3-6-15-11(10)16-7-5-12(13,14)8-16;1-9(2)11-4-3-6-14-12(11)15-7-5-10(13)8-15;1-9(2)11-4-3-6-13-12(11)14-7-5-10(15)8-14/h6-11,15H,5H2,1-4H3;3-11H,1-2H3;6-8,11H,3-5,9-10H2,1-2H3;3-4,6,9H,5,7-8H2,1-2H3;3-4,6,9-10H,5,7-8H2,1-2H3;3-4,6,9-10,15H,5,7-8H2,1-2H3
InChIKeyVBHRNYWIPRKWIS-UHFFFAOYSA-N
XLogP18.48
TPSA137.58 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001301.79
LogP ≤ 518.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;2-(3-fluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1-[1-(4-methylphenyl)propyl]-4-propan-2-yltriazole;2-phenoxy-3-propan-2-ylpyridine;2-piperidin-1-yl-3-propan-2-ylpyridine;1-(3-propan-2-yl-2-pyridinyl)pyrrolidin-3-ol with MolForge

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Related Compounds

N,N-diethyl-3-propan-2-ylpyridin-2-amine;2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;2-(3-fluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1-[1-(4-methylphenyl)propyl]-4-propan-2-yltriazole;5-[(2-methylpropan-2-yl)oxy]-2-propan-2-ylpyridine;3-methyl-5-propan-2-yl-2-propan-2-yloxypyridine;4-methyl-2-propan-2-yl-5-propan-2-yloxypyridine;N-(2-methylpropyl)-3-propan-2-ylpyridin-2-amine;2-phenoxy-3-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;2-piperidin-1-yl-3-propan-2-ylpyridine;5-propan-2-yl-2-propan-2-yloxypyridine;1-(3-propan-2-yl-2-pyridinyl)pyrrolidin-3-ol
CID 157544550
3-(1,1-difluoroethyl)-5-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]methanol;3-(1,1-difluoroethyl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 157990559
6-[4-(1,1-Difluoroethoxy)phenyl]-1-methyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]methanol;6-[4-(2,2-difluoropropoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[6-(2,2-difluoropropoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine
CID 158012734
2-(Azetidin-1-yl)-4-propan-2-ylpyridine;2,3-dimethyl-4-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-3-pyridinyl)morpholine;3-[(3-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;3-[(4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;3-[(5-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 158098579
2-(Azetidin-1-yl)-4-propan-2-ylpyridine;2,3-dimethyl-4-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;bis(2-methyl-3-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-3-pyridinyl)morpholine;3-[(3-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;3-[(4-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;3-[(5-propan-2-yl-2-pyridinyl)oxy]propane-1,2-diol;5-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 158627685
(8R)-2-[(E)-2-[6-(2,2-difluoroethoxy)-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[(E)-2-[6-(2,2-difluoroethoxy)-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 158734040
(8S)-2-[(E)-2-[6-ethoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8R)-2-[(E)-2-[6-ethoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 158854419
(8S)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-8-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8R)-2-[(E)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]ethenyl]-8-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 159803350
(8R)-2-[(E)-2-[5-(4-methylimidazol-1-yl)-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[(E)-2-[5-(4-methylimidazol-1-yl)-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 160302472
(7R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 160522684
1-But-3-ynyl-4-(5-propan-2-yl-2-pyridinyl)piperazine;2-(2,2-difluoroethoxy)-4-propan-2-ylpyridine;2-(3-ethylpiperidin-1-yl)-5-propan-2-ylpyridine;2-(4-ethylpiperidin-1-yl)-5-propan-2-ylpyridine;2-(3-ethylpyrrolidin-1-yl)-5-propan-2-ylpyridine;2-(4-ethynylpiperidin-1-yl)-5-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;2-(4-methoxypiperidin-1-yl)-5-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-(3-methylpyrrolidin-1-yl)-5-propan-2-ylpyridine;5-propan-2-yl-2-(4-propylpiperidin-1-yl)pyridine;5-propan-2-yl-2-(3-propylpyrrolidin-1-yl)pyridine;1-(5-propan-2-yl-2-pyridinyl)piperidin-4-ol;4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyridine
CID 161512794
2,4-Dimethyl-3-(1-methylpyrazol-3-yl)pyridine;2,5-dimethyl-3-(1-methylpyrazol-3-yl)pyridine;3,5-dimethyl-2-(1-methylpyrazol-3-yl)pyridine;3,6-dimethyl-2-(1-methylpyrazol-3-yl)pyridine;2,5-dimethyl-3-pyrazol-1-ylpyridine;3,6-dimethyl-2-(triazol-2-yl)pyridine;3-fluoro-4-methyl-5-(1-methylpyrazol-3-yl)pyridine;4-fluoro-3-methyl-2-(1-methylpyrazol-3-yl)pyridine;5-fluoro-2-methyl-3-(1-methylpyrazol-3-yl)pyridine;3-fluoro-4-methyl-5-pyrazol-1-ylpyridine;2-methoxy-4-methyl-5-(1-methylpyrazol-3-yl)pyridine;2-methyl-3-(1-methylpyrazol-3-yl)pyridine;4-methyl-3-(1-methylpyrazol-3-yl)pyridine;[5-methyl-6-(1-methylpyrazol-3-yl)-2-pyridinyl]methanol;3-methyl-4-pyrazol-1-ylpyridine;4-methyl-3-pyrazol-1-ylpyridine;3-methyl-2-pyrazol-1-yl-5-(trifluoromethyl)pyridine;3-methyl-2-(triazol-2-yl)pyridine
CID 161680443

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;2-(3-fluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1-[1-(4-methylphenyl)propyl]-4-propan-2-yltriazole;2-phenoxy-3-propan-2-ylpyridine;2-piperidin-1-yl-3-propan-2-ylpyridine;1-(3-propan-2-yl-2-pyridinyl)pyrrolidin-3-ol?
The IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;2-(3-fluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1-[1-(4-methylphenyl)propyl]-4-propan-2-yltriazole;2-phenoxy-3-propan-2-ylpyridine;2-piperidin-1-yl-3-propan-2-ylpyridine;1-(3-propan-2-yl-2-pyridinyl)pyrrolidin-3-ol (CID 161251313) is 2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;2-(3-fluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1-[1-(4-methylphenyl)propyl]-4-propan-2-yltriazole;2-phenoxy-3-propan-2-ylpyridine;2-piperidin-1-yl-3-propan-2-ylpyridine;1-(3-propan-2-yl-2-pyridinyl)pyrrolidin-3-ol.
What is the SMILES notation for 2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;2-(3-fluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1-[1-(4-methylphenyl)propyl]-4-propan-2-yltriazole;2-phenoxy-3-propan-2-ylpyridine;2-piperidin-1-yl-3-propan-2-ylpyridine;1-(3-propan-2-yl-2-pyridinyl)pyrrolidin-3-ol?
The canonical SMILES for 2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;2-(3-fluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1-[1-(4-methylphenyl)propyl]-4-propan-2-yltriazole;2-phenoxy-3-propan-2-ylpyridine;2-piperidin-1-yl-3-propan-2-ylpyridine;1-(3-propan-2-yl-2-pyridinyl)pyrrolidin-3-ol is CC(C)c1cccnc1N1CCC(F)(F)C1.CC(C)c1cccnc1N1CCC(F)C1.CC(C)c1cccnc1N1CCC(O)C1.CC(C)c1cccnc1N1CCCCC1.CC(C)c1cccnc1Oc1ccccc1.CCC(c1ccc(C)cc1)n1cc(C(C)C)nn1.
What is the InChIKey of 2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;2-(3-fluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1-[1-(4-methylphenyl)propyl]-4-propan-2-yltriazole;2-phenoxy-3-propan-2-ylpyridine;2-piperidin-1-yl-3-propan-2-ylpyridine;1-(3-propan-2-yl-2-pyridinyl)pyrrolidin-3-ol?
The InChIKey is VBHRNYWIPRKWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3.C14H15NO.C13H20N2.C12H16F2N2.C12H17FN2.C12H18N2O/c1-5-15(13-8-6-12(4)7-9-13)18-10-14(11(2)3)16-17-18;1-11(2)13-9-6-10-15-14(13)16-12-7-4-3-5-8-12;1-11(2)12-7-6-8-14-13(12)15-9-4-3-5-10-15;1-9(2)10-4-3-6-15-11(10)16-7-5-12(13,14)8-16;1-9(2)11-4-3-6-14-12(11)15-7-5-10(13)8-15;1-9(2)11-4-3-6-13-12(11)14-7-5-10(15)8-14/h6-11,15H,5H2,1-4H3;3-11H,1-2H3;6-8,11H,3-5,9-10H2,1-2H3;3-4,6,9H,5,7-8H2,1-2H3;3-4,6,9-10H,5,7-8H2,1-2H3;3-4,6,9-10,15H,5,7-8H2,1-2H3.
What are the key properties of 2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;2-(3-fluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1-[1-(4-methylphenyl)propyl]-4-propan-2-yltriazole;2-phenoxy-3-propan-2-ylpyridine;2-piperidin-1-yl-3-propan-2-ylpyridine;1-(3-propan-2-yl-2-pyridinyl)pyrrolidin-3-ol?
2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;2-(3-fluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1-[1-(4-methylphenyl)propyl]-4-propan-2-yltriazole;2-phenoxy-3-propan-2-ylpyridine;2-piperidin-1-yl-3-propan-2-ylpyridine;1-(3-propan-2-yl-2-pyridinyl)pyrrolidin-3-ol has a molecular weight of 1301.79 g/mol, XLogP of 18.48, 15 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;2-(3-fluoropyrrolidin-1-yl)-3-propan-2-ylpyridine;1-[1-(4-methylphenyl)propyl]-4-propan-2-yltriazole;2-phenoxy-3-propan-2-ylpyridine;2-piperidin-1-yl-3-propan-2-ylpyridine;1-(3-propan-2-yl-2-pyridinyl)pyrrolidin-3-ol is sourced from PubChem (CID 161251313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).