(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone;[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone

C76H60Br2Cl4F6N16O4 — CID 173146654

About (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone;[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone;[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone (PubChem CID 173146654) has the molecular formula C76H60Br2Cl4F6N16O4 and a molecular weight of 1677.03 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone;[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone.

Molecular Properties

• Compound Name: (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone;[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone
• PubChem CID: 173146654
• Molecular Formula: C76H60Br2Cl4F6N16O4
• Molecular Weight: 1677.03 g/mol
• Exact Mass: 1672.20
• IUPAC Name: (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone;[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone
• SMILES: CC1CC(c2cccc(C(F)(F)F)c2)=CCN1C(=O)c1cc2ncc(Br)cn2n1.CC1CC(c2ccccc2C(F)(F)F)=CCN1C(=O)c1cc2ncc(Br)cn2n1.O=C(c1cc2ncc(Cl)cn2n1)N1CC=C(c2ccc(Cl)cc2)CC1.O=C(c1cc2ncc(Cl)cn2n1)N1CC=C(c2cccc(Cl)c2)CC1
• InChI: InChI=1S/2C20H16BrF3N4O.2C18H14Cl2N4O/c1-12-7-14(13-3-2-4-15(8-13)20(22,23)24)5-6-27(12)19(29)17-9-18-25-10-16(21)11-28(18)26-17;1-12-8-13(15-4-2-3-5-16(15)20(22,23)24)6-7-27(12)19(29)17-9-18-25-10-14(21)11-28(18)26-17;19-14-3-1-12(2-4-14)13-5-7-23(8-6-13)18(25)16-9-17-21-10-15(20)11-24(17)22-16;19-14-3-1-2-13(8-14)12-4-6-23(7-5-12)18(25)16-9-17-21-10-15(20)11-24(17)22-16/h2-5,8-12H,6-7H2,1H3;2-6,9-12H,7-8H2,1H3;1-5,9-11H,6-8H2;1-4,8-11H,5-7H2
• InChIKey: FZDDGZALYGLLPZ-UHFFFAOYSA-N
• XLogP: 17.59
• TPSA: 202.00 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1677.03
LogP ≤ 5	17.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone;[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone?

The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone;[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone (CID 173146654) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone;[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone.

What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone;[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone?

The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone;[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone is CC1CC(c2cccc(C(F)(F)F)c2)=CCN1C(=O)c1cc2ncc(Br)cn2n1.CC1CC(c2ccccc2C(F)(F)F)=CCN1C(=O)c1cc2ncc(Br)cn2n1.O=C(c1cc2ncc(Cl)cn2n1)N1CC=C(c2ccc(Cl)cc2)CC1.O=C(c1cc2ncc(Cl)cn2n1)N1CC=C(c2cccc(Cl)c2)CC1.

What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone;[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone?

The InChIKey is FZDDGZALYGLLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H16BrF3N4O.2C18H14Cl2N4O/c1-12-7-14(13-3-2-4-15(8-13)20(22,23)24)5-6-27(12)19(29)17-9-18-25-10-16(21)11-28(18)26-17;1-12-8-13(15-4-2-3-5-16(15)20(22,23)24)6-7-27(12)19(29)17-9-18-25-10-14(21)11-28(18)26-17;19-14-3-1-12(2-4-14)13-5-7-23(8-6-13)18(25)16-9-17-21-10-15(20)11-24(17)22-16;19-14-3-1-2-13(8-14)12-4-6-23(7-5-12)18(25)16-9-17-21-10-15(20)11-24(17)22-16/h2-5,8-12H,6-7H2,1H3;2-6,9-12H,7-8H2,1H3;1-5,9-11H,6-8H2;1-4,8-11H,5-7H2.

What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone;[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone?

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone;[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone has a molecular weight of 1677.03 g/mol, XLogP of 17.59, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methanone;[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone;[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 173146654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).