N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethynyl]cyclopropyl]carbamate;tert-butyl N-(1-ethynylcyclopropyl)carbamate;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C119H131BCl3F9N18O15 — CID 164963188

About N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethynyl]cyclopropyl]carbamate;tert-butyl N-(1-ethynylcyclopropyl)carbamate;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethynyl]cyclopropyl]carbamate;tert-butyl N-(1-ethynylcyclopropyl)carbamate;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 164963188) has the molecular formula C119H131BCl3F9N18O15 and a molecular weight of 2341.62 g/mol. Its IUPAC name is N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethynyl]cyclopropyl]carbamate;tert-butyl N-(1-ethynylcyclopropyl)carbamate;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethynyl]cyclopropyl]carbamate;tert-butyl N-(1-ethynylcyclopropyl)carbamate;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
• PubChem CID: 164963188
• Molecular Formula: C119H131BCl3F9N18O15
• Molecular Weight: 2341.62 g/mol
• Exact Mass: 2338.91
• IUPAC Name: N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethynyl]cyclopropyl]carbamate;tert-butyl N-(1-ethynylcyclopropyl)carbamate;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
• SMILES: C#CC1(NC(=O)OC(C)(C)C)CC1.CC(C)(C)OC(=O)NC1(C#Cc2cc(Cl)cc(N3CCOCC3)n2)CC1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C#CC2(N)CC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C#CC2(NC(=O)OC(C)(C)C)CC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(Cl)nc(N2CCOCC2)c1
• InChI: InChI=1S/C33H34F3N5O4.C28H26F3N5O2.C20H22BF3N2O3.C19H24ClN3O3.C10H15NO2.C9H10Cl2N2O/c1-21-5-6-24(39-29(42)22-8-12-37-27(18-22)33(34,35)36)20-26(21)23-17-25(38-28(19-23)41-13-15-44-16-14-41)7-9-32(10-11-32)40-30(43)45-31(2,3)4;1-18-2-3-21(35-26(37)19-5-9-33-24(15-19)28(29,30)31)17-23(18)20-14-22(4-6-27(32)7-8-27)34-25(16-20)36-10-12-38-13-11-36;1-12-6-7-14(11-15(12)21-28-18(2,3)19(4,5)29-21)26-17(27)13-8-9-25-16(10-13)20(22,23)24;1-18(2,3)26-17(24)22-19(6-7-19)5-4-15-12-14(20)13-16(21-15)23-8-10-25-11-9-23;1-5-10(6-7-10)11-8(12)13-9(2,3)4;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13/h5-6,8,12,17-20H,10-11,13-16H2,1-4H3,(H,39,42)(H,40,43);2-3,5,9,14-17H,7-8,10-13,32H2,1H3,(H,35,37);6-11H,1-5H3,(H,26,27);12-13H,6-11H2,1-3H3,(H,22,24);1H,6-7H2,2-4H3,(H,11,12);5-6H,1-4H2
• InChIKey: CCSZVDTYZNJYPB-UHFFFAOYSA-N
• XLogP: 21.21
• TPSA: 386.88 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 16
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2341.62
LogP ≤ 5	21.21
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethynyl]cyclopropyl]carbamate;tert-butyl N-(1-ethynylcyclopropyl)carbamate;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The IUPAC name of N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethynyl]cyclopropyl]carbamate;tert-butyl N-(1-ethynylcyclopropyl)carbamate;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 164963188) is N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethynyl]cyclopropyl]carbamate;tert-butyl N-(1-ethynylcyclopropyl)carbamate;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

What is the SMILES notation for N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethynyl]cyclopropyl]carbamate;tert-butyl N-(1-ethynylcyclopropyl)carbamate;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The canonical SMILES for N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethynyl]cyclopropyl]carbamate;tert-butyl N-(1-ethynylcyclopropyl)carbamate;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is C#CC1(NC(=O)OC(C)(C)C)CC1.CC(C)(C)OC(=O)NC1(C#Cc2cc(Cl)cc(N3CCOCC3)n2)CC1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C#CC2(N)CC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C#CC2(NC(=O)OC(C)(C)C)CC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(Cl)nc(N2CCOCC2)c1.

What is the InChIKey of N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethynyl]cyclopropyl]carbamate;tert-butyl N-(1-ethynylcyclopropyl)carbamate;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

The InChIKey is CCSZVDTYZNJYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F3N5O4.C28H26F3N5O2.C20H22BF3N2O3.C19H24ClN3O3.C10H15NO2.C9H10Cl2N2O/c1-21-5-6-24(39-29(42)22-8-12-37-27(18-22)33(34,35)36)20-26(21)23-17-25(38-28(19-23)41-13-15-44-16-14-41)7-9-32(10-11-32)40-30(43)45-31(2,3)4;1-18-2-3-21(35-26(37)19-5-9-33-24(15-19)28(29,30)31)17-23(18)20-14-22(4-6-27(32)7-8-27)34-25(16-20)36-10-12-38-13-11-36;1-12-6-7-14(11-15(12)21-28-18(2,3)19(4,5)29-21)26-17(27)13-8-9-25-16(10-13)20(22,23)24;1-18(2,3)26-17(24)22-19(6-7-19)5-4-15-12-14(20)13-16(21-15)23-8-10-25-11-9-23;1-5-10(6-7-10)11-8(12)13-9(2,3)4;10-7-5-8(11)12-9(6-7)13-1-3-14-4-2-13/h5-6,8,12,17-20H,10-11,13-16H2,1-4H3,(H,39,42)(H,40,43);2-3,5,9,14-17H,7-8,10-13,32H2,1H3,(H,35,37);6-11H,1-5H3,(H,26,27);12-13H,6-11H2,1-3H3,(H,22,24);1H,6-7H2,2-4H3,(H,11,12);5-6H,1-4H2.

What are the key properties of N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethynyl]cyclopropyl]carbamate;tert-butyl N-(1-ethynylcyclopropyl)carbamate;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?

N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethynyl]cyclopropyl]carbamate;tert-butyl N-(1-ethynylcyclopropyl)carbamate;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 2341.62 g/mol, XLogP of 21.21, 16 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[2-(1-aminocyclopropyl)ethynyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;tert-butyl N-[1-[2-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethynyl]cyclopropyl]carbamate;tert-butyl N-(1-ethynylcyclopropyl)carbamate;tert-butyl N-[1-[2-[4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]ethynyl]cyclopropyl]carbamate;4-(4,6-dichloro-2-pyridinyl)morpholine;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 164963188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).