(1-cyclopentyloxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(1,3-dimethylindol-2-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3,5-dimethylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[3-(1-methoxyethyl)phenyl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-phenylmethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-pyridin-4-yl-2-pyridinyl)methanone

C175H186FN39O16 — CID 159891052

IUPAC(1-cyclopentyloxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(1,3-dimethylindol-2-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3,5-dimethylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[3-(1-methoxyethyl)phenyl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-phenylmethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-pyridin-4-yl-2-pyridinyl)methanone
SMILESCC1(C)CN(C(=O)c2cc3ccccc3c(OC3CCCC3)n2)CCN1C(=O)c1ncn(-c2ccccc2)n1.CC1(C)CN(C(=O)c2cccc(-c3ccncc3)n2)CCN1C(=O)c1ncn(-c2ccccc2)n1.CC1(C)CN(C(=O)c2cccc(F)c2)CCN1C(=O)c1ncn(-c2ccccc2)n1.CC1(C)CN(C(=O)c2ccccc2)CCN1C(=O)c1ncn(-c2ccccc2)n1.COC(C)c1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)c1.Cc1c(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)n(C)c2ccccc12.Cc1cc(C)cc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)c1
InChIInChI=1S/C30H32N6O3.C26H25N7O2.C26H28N6O2.C25H29N5O3.C24H27N5O2.C22H22FN5O2.C22H23N5O2/c1-30(2)19-34(16-17-35(30)29(38)26-31-20-36(33-26)22-11-4-3-5-12-22)28(37)25-18-21-10-6-9-15-24(21)27(32-25)39-23-13-7-8-14-23;1-26(2)17-31(24(34)22-10-6-9-21(29-22)19-11-13-27-14-12-19)15-16-32(26)25(35)23-28-18-33(30-23)20-7-4-3-5-8-20;1-18-20-12-8-9-13-21(20)29(4)22(18)24(33)30-14-15-31(26(2,3)16-30)25(34)23-27-17-32(28-23)19-10-6-5-7-11-19;1-18(33-4)19-9-8-10-20(15-19)23(31)28-13-14-29(25(2,3)16-28)24(32)22-26-17-30(27-22)21-11-6-5-7-12-21;1-17-12-18(2)14-19(13-17)22(30)27-10-11-28(24(3,4)15-27)23(31)21-25-16-29(26-21)20-8-6-5-7-9-20;1-22(2)14-26(20(29)16-7-6-8-17(23)13-16)11-12-27(22)21(30)19-24-15-28(25-19)18-9-4-3-5-10-18;1-22(2)15-25(20(28)17-9-5-3-6-10-17)13-14-26(22)21(29)19-23-16-27(24-19)18-11-7-4-8-12-18/h3-6,9-12,15,18,20,23H,7-8,13-14,16-17,19H2,1-2H3;3-14,18H,15-17H2,1-2H3;5-13,17H,14-16H2,1-4H3;5-12,15,17-18H,13-14,16H2,1-4H3;5-9,12-14,16H,10-11,15H2,1-4H3;3-10,13,15H,11-12,14H2,1-2H3;3-12,16H,13-15H2,1-2H3
InChIKeyNUTHDEOZPWNLMM-UHFFFAOYSA-N
MW3110.67 g/mol
LogP23.10
Rot. Bonds26

About (1-cyclopentyloxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(1,3-dimethylindol-2-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3,5-dimethylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[3-(1-methoxyethyl)phenyl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-phenylmethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-pyridin-4-yl-2-pyridinyl)methanone

(1-cyclopentyloxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(1,3-dimethylindol-2-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3,5-dimethylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[3-(1-methoxyethyl)phenyl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-phenylmethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-pyridin-4-yl-2-pyridinyl)methanone (PubChem CID 159891052) has the molecular formula C175H186FN39O16 and a molecular weight of 3110.67 g/mol. Its IUPAC name is (1-cyclopentyloxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(1,3-dimethylindol-2-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3,5-dimethylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[3-(1-methoxyethyl)phenyl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-phenylmethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-pyridin-4-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(1-cyclopentyloxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(1,3-dimethylindol-2-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3,5-dimethylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[3-(1-methoxyethyl)phenyl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-phenylmethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-pyridin-4-yl-2-pyridinyl)methanone
PubChem CID159891052
Molecular FormulaC175H186FN39O16
Molecular Weight3110.67 g/mol
Exact Mass3108.49
IUPAC Name(1-cyclopentyloxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(1,3-dimethylindol-2-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3,5-dimethylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[3-(1-methoxyethyl)phenyl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-phenylmethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-pyridin-4-yl-2-pyridinyl)methanone
SMILESCC1(C)CN(C(=O)c2cc3ccccc3c(OC3CCCC3)n2)CCN1C(=O)c1ncn(-c2ccccc2)n1.CC1(C)CN(C(=O)c2cccc(-c3ccncc3)n2)CCN1C(=O)c1ncn(-c2ccccc2)n1.CC1(C)CN(C(=O)c2cccc(F)c2)CCN1C(=O)c1ncn(-c2ccccc2)n1.CC1(C)CN(C(=O)c2ccccc2)CCN1C(=O)c1ncn(-c2ccccc2)n1.COC(C)c1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)c1.Cc1c(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)n(C)c2ccccc12.Cc1cc(C)cc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)c1
InChIInChI=1S/C30H32N6O3.C26H25N7O2.C26H28N6O2.C25H29N5O3.C24H27N5O2.C22H22FN5O2.C22H23N5O2/c1-30(2)19-34(16-17-35(30)29(38)26-31-20-36(33-26)22-11-4-3-5-12-22)28(37)25-18-21-10-6-9-15-24(21)27(32-25)39-23-13-7-8-14-23;1-26(2)17-31(24(34)22-10-6-9-21(29-22)19-11-13-27-14-12-19)15-16-32(26)25(35)23-28-18-33(30-23)20-7-4-3-5-8-20;1-18-20-12-8-9-13-21(20)29(4)22(18)24(33)30-14-15-31(26(2,3)16-30)25(34)23-27-17-32(28-23)19-10-6-5-7-11-19;1-18(33-4)19-9-8-10-20(15-19)23(31)28-13-14-29(25(2,3)16-28)24(32)22-26-17-30(27-22)21-11-6-5-7-12-21;1-17-12-18(2)14-19(13-17)22(30)27-10-11-28(24(3,4)15-27)23(31)21-25-16-29(26-21)20-8-6-5-7-9-20;1-22(2)14-26(20(29)16-7-6-8-17(23)13-16)11-12-27(22)21(30)19-24-15-28(25-19)18-9-4-3-5-10-18;1-22(2)15-25(20(28)17-9-5-3-6-10-17)13-14-26(22)21(29)19-23-16-27(24-19)18-11-7-4-8-12-18/h3-6,9-12,15,18,20,23H,7-8,13-14,16-17,19H2,1-2H3;3-14,18H,15-17H2,1-2H3;5-13,17H,14-16H2,1-4H3;5-12,15,17-18H,13-14,16H2,1-4H3;5-9,12-14,16H,10-11,15H2,1-4H3;3-10,13,15H,11-12,14H2,1-2H3;3-12,16H,13-15H2,1-2H3
InChIKeyNUTHDEOZPWNLMM-UHFFFAOYSA-N
XLogP23.10
TPSA561.37 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds26
Heavy Atoms231
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003110.67
LogP ≤ 523.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (1-cyclopentyloxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(1,3-dimethylindol-2-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3,5-dimethylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[3-(1-methoxyethyl)phenyl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-phenylmethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-pyridin-4-yl-2-pyridinyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1-cyclopentyloxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(1,3-dimethylindol-2-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3,5-dimethylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[3-(1-methoxyethyl)phenyl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-phenylmethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-pyridin-4-yl-2-pyridinyl)methanone?
The IUPAC name of (1-cyclopentyloxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(1,3-dimethylindol-2-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3,5-dimethylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[3-(1-methoxyethyl)phenyl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-phenylmethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-pyridin-4-yl-2-pyridinyl)methanone (CID 159891052) is (1-cyclopentyloxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(1,3-dimethylindol-2-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3,5-dimethylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[3-(1-methoxyethyl)phenyl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-phenylmethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-pyridin-4-yl-2-pyridinyl)methanone.
What is the SMILES notation for (1-cyclopentyloxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(1,3-dimethylindol-2-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3,5-dimethylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[3-(1-methoxyethyl)phenyl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-phenylmethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-pyridin-4-yl-2-pyridinyl)methanone?
The canonical SMILES for (1-cyclopentyloxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(1,3-dimethylindol-2-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3,5-dimethylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[3-(1-methoxyethyl)phenyl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-phenylmethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-pyridin-4-yl-2-pyridinyl)methanone is CC1(C)CN(C(=O)c2cc3ccccc3c(OC3CCCC3)n2)CCN1C(=O)c1ncn(-c2ccccc2)n1.CC1(C)CN(C(=O)c2cccc(-c3ccncc3)n2)CCN1C(=O)c1ncn(-c2ccccc2)n1.CC1(C)CN(C(=O)c2cccc(F)c2)CCN1C(=O)c1ncn(-c2ccccc2)n1.CC1(C)CN(C(=O)c2ccccc2)CCN1C(=O)c1ncn(-c2ccccc2)n1.COC(C)c1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)c1.Cc1c(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)n(C)c2ccccc12.Cc1cc(C)cc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)C(C)(C)C2)c1.
What is the InChIKey of (1-cyclopentyloxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(1,3-dimethylindol-2-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3,5-dimethylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[3-(1-methoxyethyl)phenyl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-phenylmethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-pyridin-4-yl-2-pyridinyl)methanone?
The InChIKey is NUTHDEOZPWNLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O3.C26H25N7O2.C26H28N6O2.C25H29N5O3.C24H27N5O2.C22H22FN5O2.C22H23N5O2/c1-30(2)19-34(16-17-35(30)29(38)26-31-20-36(33-26)22-11-4-3-5-12-22)28(37)25-18-21-10-6-9-15-24(21)27(32-25)39-23-13-7-8-14-23;1-26(2)17-31(24(34)22-10-6-9-21(29-22)19-11-13-27-14-12-19)15-16-32(26)25(35)23-28-18-33(30-23)20-7-4-3-5-8-20;1-18-20-12-8-9-13-21(20)29(4)22(18)24(33)30-14-15-31(26(2,3)16-30)25(34)23-27-17-32(28-23)19-10-6-5-7-11-19;1-18(33-4)19-9-8-10-20(15-19)23(31)28-13-14-29(25(2,3)16-28)24(32)22-26-17-30(27-22)21-11-6-5-7-12-21;1-17-12-18(2)14-19(13-17)22(30)27-10-11-28(24(3,4)15-27)23(31)21-25-16-29(26-21)20-8-6-5-7-9-20;1-22(2)14-26(20(29)16-7-6-8-17(23)13-16)11-12-27(22)21(30)19-24-15-28(25-19)18-9-4-3-5-10-18;1-22(2)15-25(20(28)17-9-5-3-6-10-17)13-14-26(22)21(29)19-23-16-27(24-19)18-11-7-4-8-12-18/h3-6,9-12,15,18,20,23H,7-8,13-14,16-17,19H2,1-2H3;3-14,18H,15-17H2,1-2H3;5-13,17H,14-16H2,1-4H3;5-12,15,17-18H,13-14,16H2,1-4H3;5-9,12-14,16H,10-11,15H2,1-4H3;3-10,13,15H,11-12,14H2,1-2H3;3-12,16H,13-15H2,1-2H3.
What are the key properties of (1-cyclopentyloxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(1,3-dimethylindol-2-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3,5-dimethylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[3-(1-methoxyethyl)phenyl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-phenylmethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-pyridin-4-yl-2-pyridinyl)methanone?
(1-cyclopentyloxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(1,3-dimethylindol-2-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3,5-dimethylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[3-(1-methoxyethyl)phenyl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-phenylmethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-pyridin-4-yl-2-pyridinyl)methanone has a molecular weight of 3110.67 g/mol, XLogP of 23.10, 26 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentyloxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(1,3-dimethylindol-2-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3,5-dimethylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[3-(1-methoxyethyl)phenyl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-phenylmethanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(6-pyridin-4-yl-2-pyridinyl)methanone is sourced from PubChem (CID 159891052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).