3-(3-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(4-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(5-chloro-2-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-yl-3-(2,3,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

C104H93Cl3F8N16O8 — CID 159053701

About 3-(3-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(4-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(5-chloro-2-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-yl-3-(2,3,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

3-(3-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(4-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(5-chloro-2-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-yl-3-(2,3,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 159053701) has the molecular formula C104H93Cl3F8N16O8 and a molecular weight of 1953.33 g/mol. Its IUPAC name is 3-(3-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(4-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(5-chloro-2-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-yl-3-(2,3,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 3-(3-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(4-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(5-chloro-2-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-yl-3-(2,3,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 159053701
• Molecular Formula: C104H93Cl3F8N16O8
• Molecular Weight: 1953.33 g/mol
• Exact Mass: 1950.63
• IUPAC Name: 3-(3-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(4-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(5-chloro-2-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-yl-3-(2,3,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: Cc1nn2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnc2c1-c1c(F)cc(Cl)cc1F.Cc1nn2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnc2c1-c1c(F)ccc(Cl)c1F.Cc1nn2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnc2c1-c1c(F)ccc(F)c1F.Cc1nn2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnc2c1-c1cc(Cl)ccc1F
• InChI: InChI=1S/2C26H23ClF2N4O2.C26H24ClFN4O2.C26H23F3N4O2/c1-13(2)24-17(26(34)31-20-8-9-35-21-7-5-4-6-16(20)21)12-30-25-22(14(3)32-33(24)25)23-18(28)10-15(27)11-19(23)29;1-13(2)24-16(26(34)31-19-10-11-35-20-7-5-4-6-15(19)20)12-30-25-21(14(3)32-33(24)25)22-18(28)9-8-17(27)23(22)29;1-14(2)24-19(26(33)30-21-10-11-34-22-7-5-4-6-17(21)22)13-29-25-23(15(3)31-32(24)25)18-12-16(27)8-9-20(18)28;1-13(2)24-16(26(34)31-19-10-11-35-20-7-5-4-6-15(19)20)12-30-25-21(14(3)32-33(24)25)22-17(27)8-9-18(28)23(22)29/h4-7,10-13,20H,8-9H2,1-3H3,(H,31,34);4-9,12-13,19H,10-11H2,1-3H3,(H,31,34);4-9,12-14,21H,10-11H2,1-3H3,(H,30,33);4-9,12-13,19H,10-11H2,1-3H3,(H,31,34)/t20-;19-;21-;19-/m0000/s1
• InChIKey: JXPCIVLGBYEDEO-LTMCOQMZSA-N
• XLogP: 23.40
• TPSA: 274.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1953.33
LogP ≤ 5	23.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(4-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(5-chloro-2-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-yl-3-(2,3,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of 3-(3-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(4-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(5-chloro-2-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-yl-3-(2,3,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 159053701) is 3-(3-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(4-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(5-chloro-2-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-yl-3-(2,3,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 3-(3-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(4-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(5-chloro-2-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-yl-3-(2,3,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for 3-(3-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(4-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(5-chloro-2-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-yl-3-(2,3,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1nn2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnc2c1-c1c(F)cc(Cl)cc1F.Cc1nn2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnc2c1-c1c(F)ccc(Cl)c1F.Cc1nn2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnc2c1-c1c(F)ccc(F)c1F.Cc1nn2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnc2c1-c1cc(Cl)ccc1F.

What is the InChIKey of 3-(3-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(4-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(5-chloro-2-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-yl-3-(2,3,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is JXPCIVLGBYEDEO-LTMCOQMZSA-N. The full InChI is InChI=1S/2C26H23ClF2N4O2.C26H24ClFN4O2.C26H23F3N4O2/c1-13(2)24-17(26(34)31-20-8-9-35-21-7-5-4-6-16(20)21)12-30-25-22(14(3)32-33(24)25)23-18(28)10-15(27)11-19(23)29;1-13(2)24-16(26(34)31-19-10-11-35-20-7-5-4-6-15(19)20)12-30-25-21(14(3)32-33(24)25)22-18(28)9-8-17(27)23(22)29;1-14(2)24-19(26(33)30-21-10-11-34-22-7-5-4-6-17(21)22)13-29-25-23(15(3)31-32(24)25)18-12-16(27)8-9-20(18)28;1-13(2)24-16(26(34)31-19-10-11-35-20-7-5-4-6-15(19)20)12-30-25-21(14(3)32-33(24)25)22-17(27)8-9-18(28)23(22)29/h4-7,10-13,20H,8-9H2,1-3H3,(H,31,34);4-9,12-13,19H,10-11H2,1-3H3,(H,31,34);4-9,12-14,21H,10-11H2,1-3H3,(H,30,33);4-9,12-13,19H,10-11H2,1-3H3,(H,31,34)/t20-;19-;21-;19-/m0000/s1.

What are the key properties of 3-(3-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(4-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(5-chloro-2-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-yl-3-(2,3,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?

3-(3-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(4-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(5-chloro-2-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-yl-3-(2,3,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 1953.33 g/mol, XLogP of 23.40, 16 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(4-chloro-2,6-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(5-chloro-2-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-yl-3-(2,3,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 159053701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).