N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-[5-[2-[1-[[5-[5-[2-[1-[(7-ethyl-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C50H46F9N15O6 — CID 165015277

About N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-[5-[2-[1-[[5-[5-[2-[1-[(7-ethyl-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-[5-[2-[1-[[5-[5-[2-[1-[(7-ethyl-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 165015277) has the molecular formula C50H46F9N15O6 and a molecular weight of 1124.00 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-[5-[2-[1-[[5-[5-[2-[1-[(7-ethyl-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-[5-[2-[1-[[5-[5-[2-[1-[(7-ethyl-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 165015277
• Molecular Formula: C50H46F9N15O6
• Molecular Weight: 1124.00 g/mol
• Exact Mass: 1123.36
• IUPAC Name: N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-[5-[2-[1-[[5-[5-[2-[1-[(7-ethyl-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CCc1cc(N2CCOCC2)nc2c(C(=O)NC(C3CC3c3cc(-c4cc(C)n5ncc(C(=O)NC(C6CC6c6cc(-c7cc(C)n8ncc(C(=O)N[C@H](C9CC9)C(F)(F)F)c8n7)no6)C(F)(F)F)c5n4)no3)C(F)(F)F)cnn12
• InChI: InChI=1S/C50H46F9N15O6/c1-4-24-13-38(71-7-9-78-10-8-71)65-44-31(20-62-74(24)44)47(77)68-41(50(57,58)59)28-15-26(28)37-17-35(70-80-37)33-12-22(3)73-43(64-33)30(19-61-73)46(76)67-40(49(54,55)56)27-14-25(27)36-16-34(69-79-36)32-11-21(2)72-42(63-32)29(18-60-72)45(75)66-39(23-5-6-23)48(51,52)53/h11-13,16-20,23,25-28,39-41H,4-10,14-15H2,1-3H3,(H,66,75)(H,67,76)(H,68,77)/t25?,26?,27?,28?,39-,40?,41?/m1/s1
• InChIKey: KHWQCOAWJWTWSC-BJRZSEEGSA-N
• XLogP: 7.14
• TPSA: 242.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1124.00
LogP ≤ 5	7.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-[5-[2-[1-[[5-[5-[2-[1-[(7-ethyl-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-[5-[2-[1-[[5-[5-[2-[1-[(7-ethyl-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 165015277) is N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-[5-[2-[1-[[5-[5-[2-[1-[(7-ethyl-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-[5-[2-[1-[[5-[5-[2-[1-[(7-ethyl-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-[5-[2-[1-[[5-[5-[2-[1-[(7-ethyl-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCc1cc(N2CCOCC2)nc2c(C(=O)NC(C3CC3c3cc(-c4cc(C)n5ncc(C(=O)NC(C6CC6c6cc(-c7cc(C)n8ncc(C(=O)N[C@H](C9CC9)C(F)(F)F)c8n7)no6)C(F)(F)F)c5n4)no3)C(F)(F)F)cnn12.

What is the InChIKey of N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-[5-[2-[1-[[5-[5-[2-[1-[(7-ethyl-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is KHWQCOAWJWTWSC-BJRZSEEGSA-N. The full InChI is InChI=1S/C50H46F9N15O6/c1-4-24-13-38(71-7-9-78-10-8-71)65-44-31(20-62-74(24)44)47(77)68-41(50(57,58)59)28-15-26(28)37-17-35(70-80-37)33-12-22(3)73-43(64-33)30(19-61-73)46(76)67-40(49(54,55)56)27-14-25(27)36-16-34(69-79-36)32-11-21(2)72-42(63-32)29(18-60-72)45(75)66-39(23-5-6-23)48(51,52)53/h11-13,16-20,23,25-28,39-41H,4-10,14-15H2,1-3H3,(H,66,75)(H,67,76)(H,68,77)/t25?,26?,27?,28?,39-,40?,41?/m1/s1.

What are the key properties of N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-[5-[2-[1-[[5-[5-[2-[1-[(7-ethyl-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-[5-[2-[1-[[5-[5-[2-[1-[(7-ethyl-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1124.00 g/mol, XLogP of 7.14, 15 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-[5-[2-[1-[[5-[5-[2-[1-[(7-ethyl-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2,2,2-trifluoroethyl]cyclopropyl]-1,2-oxazol-3-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 165015277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).