7-butan-2-yl-3-(2-chloro-6-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2-chloro-6-fluoro-3-methoxyphenyl)-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-fluoro-3-methoxyphenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2,6-difluoro-3-methoxyphenyl)-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]-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C135H128Cl3F9N20O14 — CID 162248168

About 7-butan-2-yl-3-(2-chloro-6-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2-chloro-6-fluoro-3-methoxyphenyl)-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-fluoro-3-methoxyphenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2,6-difluoro-3-methoxyphenyl)-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]-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide

7-butan-2-yl-3-(2-chloro-6-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2-chloro-6-fluoro-3-methoxyphenyl)-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-fluoro-3-methoxyphenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2,6-difluoro-3-methoxyphenyl)-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]-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 162248168) has the molecular formula C135H128Cl3F9N20O14 and a molecular weight of 2531.98 g/mol. Its IUPAC name is 7-butan-2-yl-3-(2-chloro-6-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2-chloro-6-fluoro-3-methoxyphenyl)-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-fluoro-3-methoxyphenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2,6-difluoro-3-methoxyphenyl)-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]-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 7-butan-2-yl-3-(2-chloro-6-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2-chloro-6-fluoro-3-methoxyphenyl)-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-fluoro-3-methoxyphenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2,6-difluoro-3-methoxyphenyl)-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]-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 162248168
• Molecular Formula: C135H128Cl3F9N20O14
• Molecular Weight: 2531.98 g/mol
• Exact Mass: 2528.88
• IUPAC Name: 7-butan-2-yl-3-(2-chloro-6-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2-chloro-6-fluoro-3-methoxyphenyl)-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-fluoro-3-methoxyphenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2,6-difluoro-3-methoxyphenyl)-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]-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CCC(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)cnc2c(-c3c(F)cccc3Cl)c(C)nn12.COc1c(Cl)ccc(-c2c(C)nn3c(C(C)C)c(C(=O)N[C@H]4CCOc5ccccc54)cnc23)c1F.COc1ccc(F)c(-c2c(C)nn3c(C(C)C)c(C(=O)N[C@H]4CCOc5ccccc54)cnc23)c1Cl.COc1ccc(F)c(-c2c(C)nn3c(C(C)C)c(C(=O)N[C@H]4CCOc5ccccc54)cnc23)c1F.Cc1nn2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnc2c1-c1cccc(OC(F)(F)F)c1F
• InChI: InChI=1S/2C27H26ClFN4O3.C27H26ClFN4O2.C27H24F4N4O3.C27H26F2N4O3/c1-14(2)25-17(27(34)31-19-11-12-36-20-8-6-5-7-16(19)20)13-30-26-22(15(3)32-33(25)26)23-18(29)9-10-21(35-4)24(23)28;1-14(2)24-18(27(34)31-20-11-12-36-21-8-6-5-7-16(20)21)13-30-26-22(15(3)32-33(24)26)17-9-10-19(28)25(35-4)23(17)29;1-4-15(2)25-18(27(34)31-21-12-13-35-22-11-6-5-8-17(21)22)14-30-26-23(16(3)32-33(25)26)24-19(28)9-7-10-20(24)29;1-14(2)24-18(26(36)33-19-11-12-37-20-9-5-4-7-16(19)20)13-32-25-22(15(3)34-35(24)25)17-8-6-10-21(23(17)28)38-27(29,30)31;1-14(2)25-17(27(34)31-19-11-12-36-20-8-6-5-7-16(19)20)13-30-26-22(15(3)32-33(25)26)23-18(28)9-10-21(35-4)24(23)29/h5-10,13-14,19H,11-12H2,1-4H3,(H,31,34);5-10,13-14,20H,11-12H2,1-4H3,(H,31,34);5-11,14-15,21H,4,12-13H2,1-3H3,(H,31,34);4-10,13-14,19H,11-12H2,1-3H3,(H,33,36);5-10,13-14,19H,11-12H2,1-4H3,(H,31,34)/t19-;20-;15?,21-;2*19-/m00000/s1
• InChIKey: ZXPXMNZBINVOHB-LTPVMEOESA-N
• XLogP: 29.52
• TPSA: 379.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 25
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2531.98
LogP ≤ 5	29.52
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-3-(2-chloro-6-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2-chloro-6-fluoro-3-methoxyphenyl)-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-fluoro-3-methoxyphenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2,6-difluoro-3-methoxyphenyl)-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]-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of 7-butan-2-yl-3-(2-chloro-6-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2-chloro-6-fluoro-3-methoxyphenyl)-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-fluoro-3-methoxyphenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2,6-difluoro-3-methoxyphenyl)-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]-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 162248168) is 7-butan-2-yl-3-(2-chloro-6-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2-chloro-6-fluoro-3-methoxyphenyl)-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-fluoro-3-methoxyphenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2,6-difluoro-3-methoxyphenyl)-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]-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 7-butan-2-yl-3-(2-chloro-6-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2-chloro-6-fluoro-3-methoxyphenyl)-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-fluoro-3-methoxyphenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2,6-difluoro-3-methoxyphenyl)-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]-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for 7-butan-2-yl-3-(2-chloro-6-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2-chloro-6-fluoro-3-methoxyphenyl)-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-fluoro-3-methoxyphenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2,6-difluoro-3-methoxyphenyl)-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]-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCC(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)cnc2c(-c3c(F)cccc3Cl)c(C)nn12.COc1c(Cl)ccc(-c2c(C)nn3c(C(C)C)c(C(=O)N[C@H]4CCOc5ccccc54)cnc23)c1F.COc1ccc(F)c(-c2c(C)nn3c(C(C)C)c(C(=O)N[C@H]4CCOc5ccccc54)cnc23)c1Cl.COc1ccc(F)c(-c2c(C)nn3c(C(C)C)c(C(=O)N[C@H]4CCOc5ccccc54)cnc23)c1F.Cc1nn2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnc2c1-c1cccc(OC(F)(F)F)c1F.

What is the InChIKey of 7-butan-2-yl-3-(2-chloro-6-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2-chloro-6-fluoro-3-methoxyphenyl)-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-fluoro-3-methoxyphenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2,6-difluoro-3-methoxyphenyl)-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]-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is ZXPXMNZBINVOHB-LTPVMEOESA-N. The full InChI is InChI=1S/2C27H26ClFN4O3.C27H26ClFN4O2.C27H24F4N4O3.C27H26F2N4O3/c1-14(2)25-17(27(34)31-19-11-12-36-20-8-6-5-7-16(19)20)13-30-26-22(15(3)32-33(25)26)23-18(29)9-10-21(35-4)24(23)28;1-14(2)24-18(27(34)31-20-11-12-36-21-8-6-5-7-16(20)21)13-30-26-22(15(3)32-33(24)26)17-9-10-19(28)25(35-4)23(17)29;1-4-15(2)25-18(27(34)31-21-12-13-35-22-11-6-5-8-17(21)22)14-30-26-23(16(3)32-33(25)26)24-19(28)9-7-10-20(24)29;1-14(2)24-18(26(36)33-19-11-12-37-20-9-5-4-7-16(19)20)13-32-25-22(15(3)34-35(24)25)17-8-6-10-21(23(17)28)38-27(29,30)31;1-14(2)25-17(27(34)31-19-11-12-36-20-8-6-5-7-16(19)20)13-30-26-22(15(3)32-33(25)26)23-18(28)9-10-21(35-4)24(23)29/h5-10,13-14,19H,11-12H2,1-4H3,(H,31,34);5-10,13-14,20H,11-12H2,1-4H3,(H,31,34);5-11,14-15,21H,4,12-13H2,1-3H3,(H,31,34);4-10,13-14,19H,11-12H2,1-3H3,(H,33,36);5-10,13-14,19H,11-12H2,1-4H3,(H,31,34)/t19-;20-;15?,21-;2*19-/m00000/s1.

What are the key properties of 7-butan-2-yl-3-(2-chloro-6-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2-chloro-6-fluoro-3-methoxyphenyl)-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-fluoro-3-methoxyphenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2,6-difluoro-3-methoxyphenyl)-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]-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?

7-butan-2-yl-3-(2-chloro-6-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2-chloro-6-fluoro-3-methoxyphenyl)-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-fluoro-3-methoxyphenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2,6-difluoro-3-methoxyphenyl)-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]-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 2531.98 g/mol, XLogP of 29.52, 25 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 7-butan-2-yl-3-(2-chloro-6-fluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2-chloro-6-fluoro-3-methoxyphenyl)-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-fluoro-3-methoxyphenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;3-(2,6-difluoro-3-methoxyphenyl)-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]-3-[2-fluoro-3-(trifluoromethoxy)phenyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 162248168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).