[4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-2-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone);bis([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone)

C166H188Cl6N18O7 — CID 159649860

IUPAC[4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-2-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone);bis([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone)
SMILESCC1CCCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1.CC1CCCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1.COc1ncc(-c2ccnc(C(C)(C)C)c2)cc1-c1ccc(C(=O)N2CCC(C)CC2)cc1Cl.Cc1ncc(-c2ccc(C(=O)N3CCC(C)CC3)cc2Cl)cc1-c1ccnc(C(C)(C)C)c1.Cc1ncc(-c2ccc(C(=O)N3CCC(C)CC3)cc2Cl)cc1-c1ccnc(C(C)(C)C)c1.Cc1ncc(-c2ccnc(C(C)(C)C)c2)cc1-c1ccc(C(=O)N2CCC(C)CC2)cc1Cl
InChIInChI=1S/C28H32ClN3O2.3C28H32ClN3O.2C27H30ClN3O/c1-18-9-12-32(13-10-18)27(33)20-6-7-22(24(29)15-20)23-14-21(17-31-26(23)34-5)19-8-11-30-25(16-19)28(2,3)4;2*1-18-9-12-32(13-10-18)27(33)21-6-7-23(25(29)15-21)22-14-24(19(2)31-17-22)20-8-11-30-26(16-20)28(3,4)5;1-18-9-12-32(13-10-18)27(33)21-6-7-23(25(29)15-21)24-14-22(17-31-19(24)2)20-8-11-30-26(16-20)28(3,4)5;2*1-18-6-5-11-31(17-18)26(32)20-7-8-23(24(28)13-20)22-12-21(15-29-16-22)19-9-10-30-25(14-19)27(2,3)4/h6-8,11,14-18H,9-10,12-13H2,1-5H3;3*6-8,11,14-18H,9-10,12-13H2,1-5H3;2*7-10,12-16,18H,5-6,11,17H2,1-4H3
InChIKeyMRKOYRUBOGEVJL-UHFFFAOYSA-N
MW2760.17 g/mol
LogP40.74
Rot. Bonds19

About [4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-2-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone);bis([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone)

[4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-2-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone);bis([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone) (PubChem CID 159649860) has the molecular formula C166H188Cl6N18O7 and a molecular weight of 2760.17 g/mol. Its IUPAC name is [4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-2-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone);bis([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone).

Molecular Properties

Compound Name[4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-2-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone);bis([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone)
PubChem CID159649860
Molecular FormulaC166H188Cl6N18O7
Molecular Weight2760.17 g/mol
Exact Mass2755.30
IUPAC Name[4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-2-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone);bis([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone)
SMILESCC1CCCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1.CC1CCCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1.COc1ncc(-c2ccnc(C(C)(C)C)c2)cc1-c1ccc(C(=O)N2CCC(C)CC2)cc1Cl.Cc1ncc(-c2ccc(C(=O)N3CCC(C)CC3)cc2Cl)cc1-c1ccnc(C(C)(C)C)c1.Cc1ncc(-c2ccc(C(=O)N3CCC(C)CC3)cc2Cl)cc1-c1ccnc(C(C)(C)C)c1.Cc1ncc(-c2ccnc(C(C)(C)C)c2)cc1-c1ccc(C(=O)N2CCC(C)CC2)cc1Cl
InChIInChI=1S/C28H32ClN3O2.3C28H32ClN3O.2C27H30ClN3O/c1-18-9-12-32(13-10-18)27(33)20-6-7-22(24(29)15-20)23-14-21(17-31-26(23)34-5)19-8-11-30-25(16-19)28(2,3)4;2*1-18-9-12-32(13-10-18)27(33)21-6-7-23(25(29)15-21)22-14-24(19(2)31-17-22)20-8-11-30-26(16-20)28(3,4)5;1-18-9-12-32(13-10-18)27(33)21-6-7-23(25(29)15-21)24-14-22(17-31-19(24)2)20-8-11-30-26(16-20)28(3,4)5;2*1-18-6-5-11-31(17-18)26(32)20-7-8-23(24(28)13-20)22-12-21(15-29-16-22)19-9-10-30-25(14-19)27(2,3)4/h6-8,11,14-18H,9-10,12-13H2,1-5H3;3*6-8,11,14-18H,9-10,12-13H2,1-5H3;2*7-10,12-16,18H,5-6,11,17H2,1-4H3
InChIKeyMRKOYRUBOGEVJL-UHFFFAOYSA-N
XLogP40.74
TPSA285.77 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002760.17
LogP ≤ 540.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze [4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-2-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone);bis([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone) with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-2-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone);bis([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone)?
The IUPAC name of [4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-2-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone);bis([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone) (CID 159649860) is [4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-2-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone);bis([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone).
What is the SMILES notation for [4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-2-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone);bis([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone)?
The canonical SMILES for [4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-2-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone);bis([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone) is CC1CCCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1.CC1CCCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1.COc1ncc(-c2ccnc(C(C)(C)C)c2)cc1-c1ccc(C(=O)N2CCC(C)CC2)cc1Cl.Cc1ncc(-c2ccc(C(=O)N3CCC(C)CC3)cc2Cl)cc1-c1ccnc(C(C)(C)C)c1.Cc1ncc(-c2ccc(C(=O)N3CCC(C)CC3)cc2Cl)cc1-c1ccnc(C(C)(C)C)c1.Cc1ncc(-c2ccnc(C(C)(C)C)c2)cc1-c1ccc(C(=O)N2CCC(C)CC2)cc1Cl.
What is the InChIKey of [4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-2-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone);bis([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone)?
The InChIKey is MRKOYRUBOGEVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN3O2.3C28H32ClN3O.2C27H30ClN3O/c1-18-9-12-32(13-10-18)27(33)20-6-7-22(24(29)15-20)23-14-21(17-31-26(23)34-5)19-8-11-30-25(16-19)28(2,3)4;2*1-18-9-12-32(13-10-18)27(33)21-6-7-23(25(29)15-21)22-14-24(19(2)31-17-22)20-8-11-30-26(16-20)28(3,4)5;1-18-9-12-32(13-10-18)27(33)21-6-7-23(25(29)15-21)24-14-22(17-31-19(24)2)20-8-11-30-26(16-20)28(3,4)5;2*1-18-6-5-11-31(17-18)26(32)20-7-8-23(24(28)13-20)22-12-21(15-29-16-22)19-9-10-30-25(14-19)27(2,3)4/h6-8,11,14-18H,9-10,12-13H2,1-5H3;3*6-8,11,14-18H,9-10,12-13H2,1-5H3;2*7-10,12-16,18H,5-6,11,17H2,1-4H3.
What are the key properties of [4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-2-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone);bis([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone)?
[4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-2-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone);bis([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone) has a molecular weight of 2760.17 g/mol, XLogP of 40.74, 19 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(2-tert-butyl-4-pyridinyl)-2-methoxy-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-2-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;bis([4-[5-(2-tert-butyl-4-pyridinyl)-6-methyl-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone);bis([4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone) is sourced from PubChem (CID 159649860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).