N-[5-[6-[[4-[2-[1-[4-[2-(2-cyanopropan-2-yl)-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]azetidin-3-yl]oxy-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C76H70F9N15O8 — CID 130425796

About N-[5-[6-[[4-[2-[1-[4-[2-(2-cyanopropan-2-yl)-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]azetidin-3-yl]oxy-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[5-[6-[[4-[2-[1-[4-[2-(2-cyanopropan-2-yl)-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]azetidin-3-yl]oxy-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 130425796) has the molecular formula C76H70F9N15O8 and a molecular weight of 1492.47 g/mol. Its IUPAC name is N-[5-[6-[[4-[2-[1-[4-[2-(2-cyanopropan-2-yl)-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]azetidin-3-yl]oxy-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-[6-[[4-[2-[1-[4-[2-(2-cyanopropan-2-yl)-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]azetidin-3-yl]oxy-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
• PubChem CID: 130425796
• Molecular Formula: C76H70F9N15O8
• Molecular Weight: 1492.47 g/mol
• Exact Mass: 1491.54
• IUPAC Name: N-[5-[6-[[4-[2-[1-[4-[2-(2-cyanopropan-2-yl)-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]azetidin-3-yl]oxy-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
• SMILES: Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc(OCC2CN(c3cc(-c4cc(NC(=O)c5cccc(C(F)(F)F)c5)cnc4C)cnc3OC3CN(C4CN(c5cc(-c6cc(NC(=O)c7cccc(C(F)(F)F)c7)cnc6C)cnc5C(C)(C)C#N)CCO4)C3)CCO2)c(N2CCOCC2)c1
• InChI: InChI=1S/C76H70F9N15O8/c1-43-59(28-54(34-88-43)94-68(101)46-8-6-10-52(22-46)74(77,78)79)49-24-62(67(91-31-49)73(4,5)42-86)99-17-21-106-66(40-99)100-37-57(38-100)108-72-64(26-51(33-93-72)61-29-55(35-89-45(61)3)95-69(102)47-9-7-11-53(23-47)75(80,81)82)98-16-20-105-58(39-98)41-107-71-63(97-14-18-104-19-15-97)25-50(32-92-71)60-30-56(36-90-44(60)2)96-70(103)48-12-13-87-65(27-48)76(83,84)85/h6-13,22-36,57-58,66H,14-21,37-41H2,1-5H3,(H,94,101)(H,95,102)(H,96,103)
• InChIKey: QTQAIPMBDOJAPP-UHFFFAOYSA-N
• XLogP: 13.04
• TPSA: 260.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1492.47
LogP ≤ 5	13.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-[[4-[2-[1-[4-[2-(2-cyanopropan-2-yl)-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]azetidin-3-yl]oxy-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The IUPAC name of N-[5-[6-[[4-[2-[1-[4-[2-(2-cyanopropan-2-yl)-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]azetidin-3-yl]oxy-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 130425796) is N-[5-[6-[[4-[2-[1-[4-[2-(2-cyanopropan-2-yl)-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]azetidin-3-yl]oxy-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

What is the SMILES notation for N-[5-[6-[[4-[2-[1-[4-[2-(2-cyanopropan-2-yl)-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]azetidin-3-yl]oxy-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The canonical SMILES for N-[5-[6-[[4-[2-[1-[4-[2-(2-cyanopropan-2-yl)-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]azetidin-3-yl]oxy-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide is Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc(OCC2CN(c3cc(-c4cc(NC(=O)c5cccc(C(F)(F)F)c5)cnc4C)cnc3OC3CN(C4CN(c5cc(-c6cc(NC(=O)c7cccc(C(F)(F)F)c7)cnc6C)cnc5C(C)(C)C#N)CCO4)C3)CCO2)c(N2CCOCC2)c1.

What is the InChIKey of N-[5-[6-[[4-[2-[1-[4-[2-(2-cyanopropan-2-yl)-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]azetidin-3-yl]oxy-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The InChIKey is QTQAIPMBDOJAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H70F9N15O8/c1-43-59(28-54(34-88-43)94-68(101)46-8-6-10-52(22-46)74(77,78)79)49-24-62(67(91-31-49)73(4,5)42-86)99-17-21-106-66(40-99)100-37-57(38-100)108-72-64(26-51(33-93-72)61-29-55(35-89-45(61)3)95-69(102)47-9-7-11-53(23-47)75(80,81)82)98-16-20-105-58(39-98)41-107-71-63(97-14-18-104-19-15-97)25-50(32-92-71)60-30-56(36-90-44(60)2)96-70(103)48-12-13-87-65(27-48)76(83,84)85/h6-13,22-36,57-58,66H,14-21,37-41H2,1-5H3,(H,94,101)(H,95,102)(H,96,103).

What are the key properties of N-[5-[6-[[4-[2-[1-[4-[2-(2-cyanopropan-2-yl)-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]azetidin-3-yl]oxy-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

N-[5-[6-[[4-[2-[1-[4-[2-(2-cyanopropan-2-yl)-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]azetidin-3-yl]oxy-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 1492.47 g/mol, XLogP of 13.04, 19 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[6-[[4-[2-[1-[4-[2-(2-cyanopropan-2-yl)-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]azetidin-3-yl]oxy-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 130425796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).