N-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]cyclobutyl]pyridine-2-carboxamide;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,3-difluoropyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]pyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;(1R)-1-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine

C91H88F26N18O5S — CID 161465489

About N-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]cyclobutyl]pyridine-2-carboxamide;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,3-difluoropyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]pyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;(1R)-1-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine

N-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]cyclobutyl]pyridine-2-carboxamide;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,3-difluoropyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]pyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;(1R)-1-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine (PubChem CID 161465489) has the molecular formula C91H88F26N18O5S and a molecular weight of 2039.84 g/mol. Its IUPAC name is N-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]cyclobutyl]pyridine-2-carboxamide;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,3-difluoropyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]pyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;(1R)-1-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine.

Molecular Properties

• Compound Name: N-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]cyclobutyl]pyridine-2-carboxamide;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,3-difluoropyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]pyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;(1R)-1-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine
• PubChem CID: 161465489
• Molecular Formula: C91H88F26N18O5S
• Molecular Weight: 2039.84 g/mol
• Exact Mass: 2038.65
• IUPAC Name: N-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]cyclobutyl]pyridine-2-carboxamide;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,3-difluoropyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]pyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;(1R)-1-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine
• SMILES: N[C@H](Cc1cc(F)c(F)cc1F)C1CC(NC(=O)c2ccccn2)C1.N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(C(=O)c2cncc(C(F)(F)F)n2)C1.N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(Cc2cncnc2)CC1.N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(S(=O)(=O)c2ncccc2C(F)(F)F)CC1.N[C@H](Cc1cc(F)c(F)cc1F)C1CN(C(=O)c2cncc(C(F)(F)F)n2)CC1(F)F
• InChI: InChI=1S/C19H19F6N3O2S.C18H14F8N4O.C18H16F6N4O.C18H21F3N4.C18H18F3N3O/c20-14-10-16(22)15(21)8-12(14)9-17(26)11-3-6-28(7-4-11)31(29,30)18-13(19(23,24)25)2-1-5-27-18;19-10-3-12(21)11(20)1-8(10)2-13(27)9-6-30(7-17(9,22)23)16(31)14-4-28-5-15(29-14)18(24,25)26;19-11-5-13(21)12(20)3-10(11)4-14(25)9-1-2-28(8-9)17(29)15-6-26-7-16(27-15)18(22,23)24;19-15-7-17(21)16(20)5-14(15)6-18(22)13-1-3-25(4-2-13)10-12-8-23-11-24-9-12;19-13-9-15(21)14(20)7-10(13)8-16(22)11-5-12(6-11)24-18(25)17-3-1-2-4-23-17/h1-2,5,8,10-11,17H,3-4,6-7,9,26H2;1,3-5,9,13H,2,6-7,27H2;3,5-7,9,14H,1-2,4,8,25H2;5,7-9,11,13,18H,1-4,6,10,22H2;1-4,7,9,11-12,16H,5-6,8,22H2,(H,24,25)/t17-;9?,13-;9?,14-;18-;11?,12?,16-/m11111/s1
• InChIKey: WCJHVHGYNHGAAQ-GXCWOEQPSA-N
• XLogP: 14.88
• TPSA: 343.56 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 23
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2039.84
LogP ≤ 5	14.88
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]cyclobutyl]pyridine-2-carboxamide;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,3-difluoropyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]pyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;(1R)-1-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine?

The IUPAC name of N-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]cyclobutyl]pyridine-2-carboxamide;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,3-difluoropyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]pyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;(1R)-1-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine (CID 161465489) is N-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]cyclobutyl]pyridine-2-carboxamide;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,3-difluoropyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]pyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;(1R)-1-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine.

What is the SMILES notation for N-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]cyclobutyl]pyridine-2-carboxamide;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,3-difluoropyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]pyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;(1R)-1-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine?

The canonical SMILES for N-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]cyclobutyl]pyridine-2-carboxamide;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,3-difluoropyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]pyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;(1R)-1-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine is N[C@H](Cc1cc(F)c(F)cc1F)C1CC(NC(=O)c2ccccn2)C1.N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(C(=O)c2cncc(C(F)(F)F)n2)C1.N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(Cc2cncnc2)CC1.N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(S(=O)(=O)c2ncccc2C(F)(F)F)CC1.N[C@H](Cc1cc(F)c(F)cc1F)C1CN(C(=O)c2cncc(C(F)(F)F)n2)CC1(F)F.

What is the InChIKey of N-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]cyclobutyl]pyridine-2-carboxamide;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,3-difluoropyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]pyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;(1R)-1-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine?

The InChIKey is WCJHVHGYNHGAAQ-GXCWOEQPSA-N. The full InChI is InChI=1S/C19H19F6N3O2S.C18H14F8N4O.C18H16F6N4O.C18H21F3N4.C18H18F3N3O/c20-14-10-16(22)15(21)8-12(14)9-17(26)11-3-6-28(7-4-11)31(29,30)18-13(19(23,24)25)2-1-5-27-18;19-10-3-12(21)11(20)1-8(10)2-13(27)9-6-30(7-17(9,22)23)16(31)14-4-28-5-15(29-14)18(24,25)26;19-11-5-13(21)12(20)3-10(11)4-14(25)9-1-2-28(8-9)17(29)15-6-26-7-16(27-15)18(22,23)24;19-15-7-17(21)16(20)5-14(15)6-18(22)13-1-3-25(4-2-13)10-12-8-23-11-24-9-12;19-13-9-15(21)14(20)7-10(13)8-16(22)11-5-12(6-11)24-18(25)17-3-1-2-4-23-17/h1-2,5,8,10-11,17H,3-4,6-7,9,26H2;1,3-5,9,13H,2,6-7,27H2;3,5-7,9,14H,1-2,4,8,25H2;5,7-9,11,13,18H,1-4,6,10,22H2;1-4,7,9,11-12,16H,5-6,8,22H2,(H,24,25)/t17-;9?,13-;9?,14-;18-;11?,12?,16-/m11111/s1.

What are the key properties of N-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]cyclobutyl]pyridine-2-carboxamide;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,3-difluoropyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]pyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;(1R)-1-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine?

N-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]cyclobutyl]pyridine-2-carboxamide;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,3-difluoropyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]pyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;(1R)-1-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine has a molecular weight of 2039.84 g/mol, XLogP of 14.88, 23 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]cyclobutyl]pyridine-2-carboxamide;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,3-difluoropyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;[3-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]pyrrolidin-1-yl]-[6-(trifluoromethyl)pyrazin-2-yl]methanone;(1R)-1-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine is sourced from PubChem (CID 161465489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).