5-[2-[5-[2-[5-[2-[3-[[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-ethylcarbamoyl]-5-fluoro-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-6-methyl-2-pyridinyl]triazol-4-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)-N-[(2S)-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]pyridine-3-carboxamide

C76H71ClF11N25O8 — CID 155048125

IUPAC5-[2-[5-[2-[5-[2-[3-[[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-ethylcarbamoyl]-5-fluoro-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-6-methyl-2-pyridinyl]triazol-4-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)-N-[(2S)-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]pyridine-3-carboxamide
SMILESCCN(C(=O)c1cc(F)cnc1-n1ncc(-c2cnc(-n3ncc(-c4cc(C(=O)N(CC)[C@@H](C)COc5ncc(C(F)(F)F)cc5F)c(-n5ncc(-c6cc(C(=O)N(CC)[C@@H](C)COc7cnc(C(F)(F)F)cn7)c(-n7nccn7)nc6C)n5)nc4C)n3)c(C(=O)N(CC)[C@@H](C)COc3ccc(C(F)(F)F)cn3)c2)n1)[C@@H](C)COc1ccc(Cl)cn1
InChIInChI=1S/C76H71ClF11N25O8/c1-11-106(40(5)36-118-62-17-15-47(27-90-62)74(80,81)82)70(114)53-21-46(58-31-98-111(103-58)66-54(23-50(78)30-94-66)71(115)107(12-2)41(6)37-119-63-18-16-49(77)29-91-63)26-93-65(53)112-99-32-59(104-112)52-25-56(73(117)109(14-4)43(8)39-121-69-57(79)22-48(28-95-69)75(83,84)85)68(102-45(52)10)113-100-33-60(105-113)51-24-55(67(101-44(51)9)110-96-19-20-97-110)72(116)108(13-3)42(7)38-120-64-35-89-61(34-92-64)76(86,87)88/h15-35,40-43H,11-14,36-39H2,1-10H3/t40-,41-,42-,43-/m0/s1
InChIKeyZCMNZTPRWFSRAF-MXGQMUSSSA-N
MW1707.00 g/mol
LogP11.89
Rot. Bonds31

About 5-[2-[5-[2-[5-[2-[3-[[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-ethylcarbamoyl]-5-fluoro-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-6-methyl-2-pyridinyl]triazol-4-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)-N-[(2S)-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]pyridine-3-carboxamide

5-[2-[5-[2-[5-[2-[3-[[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-ethylcarbamoyl]-5-fluoro-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-6-methyl-2-pyridinyl]triazol-4-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)-N-[(2S)-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]pyridine-3-carboxamide (PubChem CID 155048125) has the molecular formula C76H71ClF11N25O8 and a molecular weight of 1707.00 g/mol. Its IUPAC name is 5-[2-[5-[2-[5-[2-[3-[[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-ethylcarbamoyl]-5-fluoro-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-6-methyl-2-pyridinyl]triazol-4-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)-N-[(2S)-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-[5-[2-[5-[2-[3-[[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-ethylcarbamoyl]-5-fluoro-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-6-methyl-2-pyridinyl]triazol-4-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)-N-[(2S)-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]pyridine-3-carboxamide
PubChem CID155048125
Molecular FormulaC76H71ClF11N25O8
Molecular Weight1707.00 g/mol
Exact Mass1705.54
IUPAC Name5-[2-[5-[2-[5-[2-[3-[[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-ethylcarbamoyl]-5-fluoro-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-6-methyl-2-pyridinyl]triazol-4-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)-N-[(2S)-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]pyridine-3-carboxamide
SMILESCCN(C(=O)c1cc(F)cnc1-n1ncc(-c2cnc(-n3ncc(-c4cc(C(=O)N(CC)[C@@H](C)COc5ncc(C(F)(F)F)cc5F)c(-n5ncc(-c6cc(C(=O)N(CC)[C@@H](C)COc7cnc(C(F)(F)F)cn7)c(-n7nccn7)nc6C)n5)nc4C)n3)c(C(=O)N(CC)[C@@H](C)COc3ccc(C(F)(F)F)cn3)c2)n1)[C@@H](C)COc1ccc(Cl)cn1
InChIInChI=1S/C76H71ClF11N25O8/c1-11-106(40(5)36-118-62-17-15-47(27-90-62)74(80,81)82)70(114)53-21-46(58-31-98-111(103-58)66-54(23-50(78)30-94-66)71(115)107(12-2)41(6)37-119-63-18-16-49(77)29-91-63)26-93-65(53)112-99-32-59(104-112)52-25-56(73(117)109(14-4)43(8)39-121-69-57(79)22-48(28-95-69)75(83,84)85)68(102-45(52)10)113-100-33-60(105-113)51-24-55(67(101-44(51)9)110-96-19-20-97-110)72(116)108(13-3)42(7)38-120-64-35-89-61(34-92-64)76(86,87)88/h15-35,40-43H,11-14,36-39H2,1-10H3/t40-,41-,42-,43-/m0/s1
InChIKeyZCMNZTPRWFSRAF-MXGQMUSSSA-N
XLogP11.89
TPSA357.01 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds31
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001707.00
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 5-[2-[5-[2-[5-[2-[3-[[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-ethylcarbamoyl]-5-fluoro-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-6-methyl-2-pyridinyl]triazol-4-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)-N-[(2S)-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-[2-[5-[2-[3-[[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-ethylcarbamoyl]-5-fluoro-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-6-methyl-2-pyridinyl]triazol-4-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)-N-[(2S)-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 5-[2-[5-[2-[5-[2-[3-[[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-ethylcarbamoyl]-5-fluoro-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-6-methyl-2-pyridinyl]triazol-4-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)-N-[(2S)-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]pyridine-3-carboxamide (CID 155048125) is 5-[2-[5-[2-[5-[2-[3-[[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-ethylcarbamoyl]-5-fluoro-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-6-methyl-2-pyridinyl]triazol-4-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)-N-[(2S)-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-[5-[2-[5-[2-[3-[[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-ethylcarbamoyl]-5-fluoro-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-6-methyl-2-pyridinyl]triazol-4-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)-N-[(2S)-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-[5-[2-[5-[2-[3-[[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-ethylcarbamoyl]-5-fluoro-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-6-methyl-2-pyridinyl]triazol-4-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)-N-[(2S)-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]pyridine-3-carboxamide is CCN(C(=O)c1cc(F)cnc1-n1ncc(-c2cnc(-n3ncc(-c4cc(C(=O)N(CC)[C@@H](C)COc5ncc(C(F)(F)F)cc5F)c(-n5ncc(-c6cc(C(=O)N(CC)[C@@H](C)COc7cnc(C(F)(F)F)cn7)c(-n7nccn7)nc6C)n5)nc4C)n3)c(C(=O)N(CC)[C@@H](C)COc3ccc(C(F)(F)F)cn3)c2)n1)[C@@H](C)COc1ccc(Cl)cn1.
What is the InChIKey of 5-[2-[5-[2-[5-[2-[3-[[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-ethylcarbamoyl]-5-fluoro-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-6-methyl-2-pyridinyl]triazol-4-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)-N-[(2S)-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]pyridine-3-carboxamide?
The InChIKey is ZCMNZTPRWFSRAF-MXGQMUSSSA-N. The full InChI is InChI=1S/C76H71ClF11N25O8/c1-11-106(40(5)36-118-62-17-15-47(27-90-62)74(80,81)82)70(114)53-21-46(58-31-98-111(103-58)66-54(23-50(78)30-94-66)71(115)107(12-2)41(6)37-119-63-18-16-49(77)29-91-63)26-93-65(53)112-99-32-59(104-112)52-25-56(73(117)109(14-4)43(8)39-121-69-57(79)22-48(28-95-69)75(83,84)85)68(102-45(52)10)113-100-33-60(105-113)51-24-55(67(101-44(51)9)110-96-19-20-97-110)72(116)108(13-3)42(7)38-120-64-35-89-61(34-92-64)76(86,87)88/h15-35,40-43H,11-14,36-39H2,1-10H3/t40-,41-,42-,43-/m0/s1.
What are the key properties of 5-[2-[5-[2-[5-[2-[3-[[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-ethylcarbamoyl]-5-fluoro-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-6-methyl-2-pyridinyl]triazol-4-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)-N-[(2S)-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]pyridine-3-carboxamide?
5-[2-[5-[2-[5-[2-[3-[[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-ethylcarbamoyl]-5-fluoro-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-6-methyl-2-pyridinyl]triazol-4-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)-N-[(2S)-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]pyridine-3-carboxamide has a molecular weight of 1707.00 g/mol, XLogP of 11.89, 31 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-[2-[5-[2-[3-[[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-ethylcarbamoyl]-5-fluoro-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-2-pyridinyl]triazol-4-yl]-3-[ethyl-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-6-methyl-2-pyridinyl]triazol-4-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)-N-[(2S)-1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 155048125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).