[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone

C64H65F9N18O4 — CID 159799522

IUPAC[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone
SMILESC[C@H]1[C@H](Nc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1ncccc1-n1nccn1.Cc1ccc(-c2ncco2)c(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)n1.Cc1cccc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c1-n1nccn1
InChIInChI=1S/C22H23F3N6O.C22H22F3N5O2.C20H20F3N7O/c1-14-5-3-6-17(20(14)31-27-10-11-28-31)21(32)30-12-4-7-18(15(30)2)29-19-9-8-16(13-26-19)22(23,24)25;1-13-5-7-16(20-26-9-11-32-20)19(28-13)21(31)30-10-3-4-17(14(30)2)29-18-8-6-15(12-27-18)22(23,24)25;1-13-15(28-17-7-6-14(12-25-17)20(21,22)23)4-3-11-29(13)19(31)18-16(5-2-8-24-18)30-26-9-10-27-30/h3,5-6,8-11,13,15,18H,4,7,12H2,1-2H3,(H,26,29);5-9,11-12,14,17H,3-4,10H2,1-2H3,(H,27,29);2,5-10,12-13,15H,3-4,11H2,1H3,(H,25,28)/t15-,18+;14-,17+;13-,15+/m000/s1
InChIKeyNJPKGZGURVUSAK-GKQMKGOGSA-N
MW1321.33 g/mol
LogP11.84
Rot. Bonds12

About [6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone

[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone (PubChem CID 159799522) has the molecular formula C64H65F9N18O4 and a molecular weight of 1321.33 g/mol. Its IUPAC name is [6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone
PubChem CID159799522
Molecular FormulaC64H65F9N18O4
Molecular Weight1321.33 g/mol
Exact Mass1320.53
IUPAC Name[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone
SMILESC[C@H]1[C@H](Nc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1ncccc1-n1nccn1.Cc1ccc(-c2ncco2)c(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)n1.Cc1cccc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c1-n1nccn1
InChIInChI=1S/C22H23F3N6O.C22H22F3N5O2.C20H20F3N7O/c1-14-5-3-6-17(20(14)31-27-10-11-28-31)21(32)30-12-4-7-18(15(30)2)29-19-9-8-16(13-26-19)22(23,24)25;1-13-5-7-16(20-26-9-11-32-20)19(28-13)21(31)30-10-3-4-17(14(30)2)29-18-8-6-15(12-27-18)22(23,24)25;1-13-15(28-17-7-6-14(12-25-17)20(21,22)23)4-3-11-29(13)19(31)18-16(5-2-8-24-18)30-26-9-10-27-30/h3,5-6,8-11,13,15,18H,4,7,12H2,1-2H3,(H,26,29);5-9,11-12,14,17H,3-4,10H2,1-2H3,(H,27,29);2,5-10,12-13,15H,3-4,11H2,1H3,(H,25,28)/t15-,18+;14-,17+;13-,15+/m000/s1
InChIKeyNJPKGZGURVUSAK-GKQMKGOGSA-N
XLogP11.84
TPSA248.92 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001321.33
LogP ≤ 511.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze [6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[6-methyl-3-(1,3-oxazol-2-yl)pyridin-2-yl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyridin-2-yl]amino]piperidin-1-yl]methanone
CID 86271019
[5-methyl-3-(1,3-oxazol-2-yl)pyridin-2-yl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone
CID 90404832
N-[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 146598776
[(3S)-3-[[4-[5-(1,3-oxazol-2-yl)-2-pyridinyl]cyclohex-3-en-1-yl]amino]pyrrolidin-1-yl]-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 70953420
[6-Methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;hydrochloride
CID 90404501
[6-Methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 90404502
[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[(2R,3S)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;hydrochloride
CID 90404504
[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[(2R,3S)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 90404505
6-methyl-4-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-3-(1,3-oxazol-2-yl)pyridine-2-carbaldehyde
CID 90405309
[6-methyl-3-(1,3-oxazol-2-yl)pyridin-2-yl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyridin-2-yl]amino]piperidin-1-yl]methanone;hydrochloride
CID 90405545
6-methyl-4-[(2R,3S)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-3-(1,3-oxazol-2-yl)pyridine-2-carbaldehyde
CID 90405592
[6-Methyl-3-(1,3-oxazol-2-yl)pyridin-2-yl]-[6-[[5-(trifluoromethyl)pyridin-2-yl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 117637539

Frequently Asked Questions

What is the IUPAC name of [6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone?
The IUPAC name of [6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone (CID 159799522) is [6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone.
What is the SMILES notation for [6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone?
The canonical SMILES for [6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone is C[C@H]1[C@H](Nc2ccc(C(F)(F)F)cn2)CCCN1C(=O)c1ncccc1-n1nccn1.Cc1ccc(-c2ncco2)c(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)n1.Cc1cccc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c1-n1nccn1.
What is the InChIKey of [6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone?
The InChIKey is NJPKGZGURVUSAK-GKQMKGOGSA-N. The full InChI is InChI=1S/C22H23F3N6O.C22H22F3N5O2.C20H20F3N7O/c1-14-5-3-6-17(20(14)31-27-10-11-28-31)21(32)30-12-4-7-18(15(30)2)29-19-9-8-16(13-26-19)22(23,24)25;1-13-5-7-16(20-26-9-11-32-20)19(28-13)21(31)30-10-3-4-17(14(30)2)29-18-8-6-15(12-27-18)22(23,24)25;1-13-15(28-17-7-6-14(12-25-17)20(21,22)23)4-3-11-29(13)19(31)18-16(5-2-8-24-18)30-26-9-10-27-30/h3,5-6,8-11,13,15,18H,4,7,12H2,1-2H3,(H,26,29);5-9,11-12,14,17H,3-4,10H2,1-2H3,(H,27,29);2,5-10,12-13,15H,3-4,11H2,1H3,(H,25,28)/t15-,18+;14-,17+;13-,15+/m000/s1.
What are the key properties of [6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone?
[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone has a molecular weight of 1321.33 g/mol, XLogP of 11.84, 12 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 159799522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).