[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(2-phenyltetrazole-5-carbonyl)piperazin-1-yl]methanone;bis((1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone);[4-[2-(2-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(3-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(4-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone

C₁₆₇H₁₇₁ClF₃N₄₇O₁₈ — CID 158215998

About [4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(2-phenyltetrazole-5-carbonyl)piperazin-1-yl]methanone;bis((1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone);[4-[2-(2-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(3-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(4-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone

[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(2-phenyltetrazole-5-carbonyl)piperazin-1-yl]methanone;bis((1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone);[4-[2-(2-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(3-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(4-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone (PubChem CID 158215998) has the molecular formula C₁₆₇H₁₇₁ClF₃N₄₇O₁₈ and a molecular weight of 3216.96 g/mol. Its IUPAC name is [4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(2-phenyltetrazole-5-carbonyl)piperazin-1-yl]methanone;bis((1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone);[4-[2-(2-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(3-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(4-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone.

Molecular Properties

• Compound Name: [4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(2-phenyltetrazole-5-carbonyl)piperazin-1-yl]methanone;bis((1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone);[4-[2-(2-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(3-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(4-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone
• PubChem CID: 158215998
• Molecular Formula: C₁₆₇H₁₇₁ClF₃N₄₇O₁₈
• Molecular Weight: 3216.96 g/mol
• Exact Mass: 3214.36
• IUPAC Name: [4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(2-phenyltetrazole-5-carbonyl)piperazin-1-yl]methanone;bis((1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone);[4-[2-(2-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(3-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(4-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone
• SMILES: CC1(C)CN(C(=O)c2cc3ccccc3c(C3CC3)n2)CCN1C(=O)c1ncn(-c2ccccc2)n1.CC1(C)CN(C(=O)c2cc3ccccc3c(C3CC3)n2)CCN1C(=O)c1ncn(-c2ccccc2)n1.CC1(C)CN(C(=O)c2cc3ccccc3c(C3CC3)n2)CCN1C(=O)c1nnn(-c2ccccc2)n1.COc1cccc(C(=O)N2CCN(C(=O)c3nnn(-c4ccc(F)cc4)n3)C(C)(C)C2)n1.COc1cccc(C(=O)N2CCN(C(=O)c3nnn(-c4cccc(Cl)c4)n3)C(C)(C)C2)n1.COc1cccc(C(=O)N2CCN(C(=O)c3nnn(-c4cccc(F)c4)n3)C(C)(C)C2)n1.COc1cccc(C(=O)N2CCN(C(=O)c3nnn(-c4ccccc4F)n3)C(C)(C)C2)n1
• InChI: InChI=1S/2C28H28N6O2.C27H27N7O2.C21H22ClN7O3.3C21H22FN7O3/c2*1-28(2)17-32(26(35)23-16-20-8-6-7-11-22(20)24(30-23)19-12-13-19)14-15-33(28)27(36)25-29-18-34(31-25)21-9-4-3-5-10-21;1-27(2)17-32(25(35)22-16-19-8-6-7-11-21(19)23(28-22)18-12-13-18)14-15-33(27)26(36)24-29-31-34(30-24)20-9-4-3-5-10-20;2*1-21(2)13-27(19(30)16-8-5-9-17(23-16)32-3)10-11-28(21)20(31)18-24-26-29(25-18)15-7-4-6-14(22)12-15;1-21(2)13-27(19(30)15-8-6-10-17(23-15)32-3)11-12-28(21)20(31)18-24-26-29(25-18)16-9-5-4-7-14(16)22;1-21(2)13-27(19(30)16-5-4-6-17(23-16)32-3)11-12-28(21)20(31)18-24-26-29(25-18)15-9-7-14(22)8-10-15/h2*3-11,16,18-19H,12-15,17H2,1-2H3;3-11,16,18H,12-15,17H2,1-2H3;2*4-9,12H,10-11,13H2,1-3H3;2*4-10H,11-13H2,1-3H3
• InChIKey: GCQOTHDOYHLNFT-UHFFFAOYSA-N
• XLogP: 18.45
• TPSA: 690.91 Ų
• H-Bond Acceptors: 51
• Rotatable Bonds: 28
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3216.96
LogP ≤ 5	18.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	51

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(2-phenyltetrazole-5-carbonyl)piperazin-1-yl]methanone;bis((1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone);[4-[2-(2-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(3-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(4-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone?

The IUPAC name of [4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(2-phenyltetrazole-5-carbonyl)piperazin-1-yl]methanone;bis((1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone);[4-[2-(2-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(3-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(4-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone (CID 158215998) is [4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(2-phenyltetrazole-5-carbonyl)piperazin-1-yl]methanone;bis((1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone);[4-[2-(2-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(3-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(4-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone.

What is the SMILES notation for [4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(2-phenyltetrazole-5-carbonyl)piperazin-1-yl]methanone;bis((1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone);[4-[2-(2-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(3-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(4-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone?

The canonical SMILES for [4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(2-phenyltetrazole-5-carbonyl)piperazin-1-yl]methanone;bis((1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone);[4-[2-(2-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(3-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(4-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone is CC1(C)CN(C(=O)c2cc3ccccc3c(C3CC3)n2)CCN1C(=O)c1ncn(-c2ccccc2)n1.CC1(C)CN(C(=O)c2cc3ccccc3c(C3CC3)n2)CCN1C(=O)c1ncn(-c2ccccc2)n1.CC1(C)CN(C(=O)c2cc3ccccc3c(C3CC3)n2)CCN1C(=O)c1nnn(-c2ccccc2)n1.COc1cccc(C(=O)N2CCN(C(=O)c3nnn(-c4ccc(F)cc4)n3)C(C)(C)C2)n1.COc1cccc(C(=O)N2CCN(C(=O)c3nnn(-c4cccc(Cl)c4)n3)C(C)(C)C2)n1.COc1cccc(C(=O)N2CCN(C(=O)c3nnn(-c4cccc(F)c4)n3)C(C)(C)C2)n1.COc1cccc(C(=O)N2CCN(C(=O)c3nnn(-c4ccccc4F)n3)C(C)(C)C2)n1.

What is the InChIKey of [4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(2-phenyltetrazole-5-carbonyl)piperazin-1-yl]methanone;bis((1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone);[4-[2-(2-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(3-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(4-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone?

The InChIKey is GCQOTHDOYHLNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H28N6O2.C27H27N7O2.C21H22ClN7O3.3C21H22FN7O3/c2*1-28(2)17-32(26(35)23-16-20-8-6-7-11-22(20)24(30-23)19-12-13-19)14-15-33(28)27(36)25-29-18-34(31-25)21-9-4-3-5-10-21;1-27(2)17-32(25(35)22-16-19-8-6-7-11-21(19)23(28-22)18-12-13-18)14-15-33(27)26(36)24-29-31-34(30-24)20-9-4-3-5-10-20;2*1-21(2)13-27(19(30)16-8-5-9-17(23-16)32-3)10-11-28(21)20(31)18-24-26-29(25-18)15-7-4-6-14(22)12-15;1-21(2)13-27(19(30)15-8-6-10-17(23-15)32-3)11-12-28(21)20(31)18-24-26-29(25-18)16-9-5-4-7-14(16)22;1-21(2)13-27(19(30)16-5-4-6-17(23-16)32-3)11-12-28(21)20(31)18-24-26-29(25-18)15-9-7-14(22)8-10-15/h2*3-11,16,18-19H,12-15,17H2,1-2H3;3-11,16,18H,12-15,17H2,1-2H3;2*4-9,12H,10-11,13H2,1-3H3;2*4-10H,11-13H2,1-3H3.

What are the key properties of [4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(2-phenyltetrazole-5-carbonyl)piperazin-1-yl]methanone;bis((1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone);[4-[2-(2-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(3-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(4-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone?

[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(2-phenyltetrazole-5-carbonyl)piperazin-1-yl]methanone;bis((1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone);[4-[2-(2-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(3-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(4-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone has a molecular weight of 3216.96 g/mol, XLogP of 18.45, 28 rotatable bonds, 0 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(2-phenyltetrazole-5-carbonyl)piperazin-1-yl]methanone;bis((1-cyclopropylisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone);[4-[2-(2-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(3-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[2-(4-fluorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 158215998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158215998 — identifiers, structure, computed properties (public domain)

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