[4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)-4-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)pyrimidin-2-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone

C188H209Cl7N22O7 — CID 157451433

IUPAC[4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)-4-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)pyrimidin-2-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(-c3cc(-c4ccnc(C(C)(C)C)c4)ccn3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cccc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cccc(-c4ccnc(C(C)(C)C)c4)n3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3ccnc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3ccnc(-c4ccnc(C(C)(C)C)c4)n3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3nccc(-c4ccnc(C(C)(C)C)c4)n3)c(Cl)c2)CC1
InChIInChI=1S/C28H31ClN2O.4C27H30ClN3O.2C26H29ClN4O/c1-19-11-14-31(15-12-19)27(32)23-8-9-24(25(29)17-23)22-7-5-6-20(16-22)21-10-13-30-26(18-21)28(2,3)4;1-18-9-13-31(14-10-18)26(32)21-5-6-22(23(28)15-21)19-7-11-29-24(16-19)20-8-12-30-25(17-20)27(2,3)4;1-18-9-13-31(14-10-18)26(32)21-5-6-22(23(28)15-21)24-16-19(7-11-29-24)20-8-12-30-25(17-20)27(2,3)4;1-18-8-11-31(12-9-18)26(32)20-5-6-23(24(28)14-20)22-13-21(16-29-17-22)19-7-10-30-25(15-19)27(2,3)4;1-18-11-14-31(15-12-18)26(32)20-8-9-21(22(28)16-20)24-7-5-6-23(30-24)19-10-13-29-25(17-19)27(2,3)4;1-17-9-13-31(14-10-17)25(32)19-5-6-20(21(27)15-19)22-8-12-29-24(30-22)18-7-11-28-23(16-18)26(2,3)4;1-17-9-13-31(14-10-17)25(32)19-5-6-20(21(27)15-19)24-29-12-8-22(30-24)18-7-11-28-23(16-18)26(2,3)4/h5-10,13,16-19H,11-12,14-15H2,1-4H3;2*5-8,11-12,15-18H,9-10,13-14H2,1-4H3;5-7,10,13-18H,8-9,11-12H2,1-4H3;5-10,13,16-18H,11-12,14-15H2,1-4H3;2*5-8,11-12,15-17H,9-10,13-14H2,1-4H3
InChIKeyBSVQCJXFADDOLO-UHFFFAOYSA-N
MW3137.06 g/mol
LogP45.83
Rot. Bonds21

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

[4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)-4-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)pyrimidin-2-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 157451433) has the molecular formula C188H209Cl7N22O7 and a molecular weight of 3137.06 g/mol. Its IUPAC name is [4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)-4-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)pyrimidin-2-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)-4-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)pyrimidin-2-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID157451433
Molecular FormulaC188H209Cl7N22O7
Molecular Weight3137.06 g/mol
Exact Mass3131.45
IUPAC Name[4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)-4-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)pyrimidin-2-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(-c3cc(-c4ccnc(C(C)(C)C)c4)ccn3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cccc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cccc(-c4ccnc(C(C)(C)C)c4)n3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3ccnc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3ccnc(-c4ccnc(C(C)(C)C)c4)n3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3nccc(-c4ccnc(C(C)(C)C)c4)n3)c(Cl)c2)CC1
InChIInChI=1S/C28H31ClN2O.4C27H30ClN3O.2C26H29ClN4O/c1-19-11-14-31(15-12-19)27(32)23-8-9-24(25(29)17-23)22-7-5-6-20(16-22)21-10-13-30-26(18-21)28(2,3)4;1-18-9-13-31(14-10-18)26(32)21-5-6-22(23(28)15-21)19-7-11-29-24(16-19)20-8-12-30-25(17-20)27(2,3)4;1-18-9-13-31(14-10-18)26(32)21-5-6-22(23(28)15-21)24-16-19(7-11-29-24)20-8-12-30-25(17-20)27(2,3)4;1-18-8-11-31(12-9-18)26(32)20-5-6-23(24(28)14-20)22-13-21(16-29-17-22)19-7-10-30-25(15-19)27(2,3)4;1-18-11-14-31(15-12-18)26(32)20-8-9-21(22(28)16-20)24-7-5-6-23(30-24)19-10-13-29-25(17-19)27(2,3)4;1-17-9-13-31(14-10-17)25(32)19-5-6-20(21(27)15-19)22-8-12-29-24(30-22)18-7-11-28-23(16-18)26(2,3)4;1-17-9-13-31(14-10-17)25(32)19-5-6-20(21(27)15-19)24-29-12-8-22(30-24)18-7-11-28-23(16-18)26(2,3)4/h5-10,13,16-19H,11-12,14-15H2,1-4H3;2*5-8,11-12,15-18H,9-10,13-14H2,1-4H3;5-7,10,13-18H,8-9,11-12H2,1-4H3;5-10,13,16-18H,11-12,14-15H2,1-4H3;2*5-8,11-12,15-17H,9-10,13-14H2,1-4H3
InChIKeyBSVQCJXFADDOLO-UHFFFAOYSA-N
XLogP45.83
TPSA335.52 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds21
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003137.06
LogP ≤ 545.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

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

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Launch Full Analysis

Related Compounds

[4-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 58072538
[4-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]methanone
CID 58072615
[4-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 58072651
[4-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 58072747
[4-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 58072917
4-[1-(5-Chloro-2-fluorobenzoyl)-4-piperidinyl]-5-(2-methylphenyl)-2-(3-pyridinyl)pyrimidine
CID 42371402
4-[2-(4-Benzylpiperazin-1-yl)pyrimidin-4-yl]benzamide;4-[2-[(3,5-dichlorophenyl)methylamino]pyrimidin-4-yl]benzamide;4-[2-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]benzamide
CID 18469967
[4-[2-Amino-5-[2-[4-[4-[4-[2-amino-5-[2-[4-[4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-3-fluorophenyl]-6-ethylpyrimidin-5-yl]ethynyl]-6-methyl-3-pyridinyl]piperidine-1-carbonyl]-3-chlorophenyl]-6-ethylpyrimidin-5-yl]ethynyl]-3-pyridinyl]piperidin-1-yl]-[4-[5-[2-(6-amino-2-methyl-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorophenyl]methanone
CID 123896323
N-tert-butyl-2-(4-chlorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-fluorophenyl)-6-(4-propan-2-ylpyrimidin-5-yl)pyridine-4-carboxamide;N-tert-butyl-2-(4-propan-2-ylpyrimidin-5-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 129078651
2-[4-[6-[5-[3-Chloro-4-[8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]pyrimidin-1-ium-1-yl]piperidin-3-yl]anilino]-6-(2-chloro-4-pyrimidin-5-ylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one
CID 145549340
8-[4-[6-[2-[3-chloro-4-[1,7-diethyl-8-(3-fluoro-4-piperazin-1-ylanilino)-2-oxo-6H-pyrido[2,3-b]azepin-3-yl]phenyl]pyrimidin-4-yl]piperidin-3-yl]anilino]-3-(2-chloro-4-pyrimidin-2-ylphenyl)-1,7-diethyl-6H-pyrido[2,3-b]azepin-2-one
CID 145549527
(4-Chloro-3-methylphenyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(4-fluoro-3-methylphenyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methylphenyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2-methyl-4-pyridinyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(4-methyl-2-pyridinyl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis(4-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine);2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone;2-[2-(trifluoromethyl)phenyl]-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
CID 157273685

Frequently Asked Questions

What is the IUPAC name of [4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)-4-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)pyrimidin-2-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)-4-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)pyrimidin-2-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone (CID 157451433) is [4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)-4-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)pyrimidin-2-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)-4-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)pyrimidin-2-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)-4-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)pyrimidin-2-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(-c3cc(-c4ccnc(C(C)(C)C)c4)ccn3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cccc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cccc(-c4ccnc(C(C)(C)C)c4)n3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3ccnc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3ccnc(-c4ccnc(C(C)(C)C)c4)n3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3nccc(-c4ccnc(C(C)(C)C)c4)n3)c(Cl)c2)CC1.
What is the InChIKey of [4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)-4-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)pyrimidin-2-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is BSVQCJXFADDOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN2O.4C27H30ClN3O.2C26H29ClN4O/c1-19-11-14-31(15-12-19)27(32)23-8-9-24(25(29)17-23)22-7-5-6-20(16-22)21-10-13-30-26(18-21)28(2,3)4;1-18-9-13-31(14-10-18)26(32)21-5-6-22(23(28)15-21)19-7-11-29-24(16-19)20-8-12-30-25(17-20)27(2,3)4;1-18-9-13-31(14-10-18)26(32)21-5-6-22(23(28)15-21)24-16-19(7-11-29-24)20-8-12-30-25(17-20)27(2,3)4;1-18-8-11-31(12-9-18)26(32)20-5-6-23(24(28)14-20)22-13-21(16-29-17-22)19-7-10-30-25(15-19)27(2,3)4;1-18-11-14-31(15-12-18)26(32)20-8-9-21(22(28)16-20)24-7-5-6-23(30-24)19-10-13-29-25(17-19)27(2,3)4;1-17-9-13-31(14-10-17)25(32)19-5-6-20(21(27)15-19)22-8-12-29-24(30-22)18-7-11-28-23(16-18)26(2,3)4;1-17-9-13-31(14-10-17)25(32)19-5-6-20(21(27)15-19)24-29-12-8-22(30-24)18-7-11-28-23(16-18)26(2,3)4/h5-10,13,16-19H,11-12,14-15H2,1-4H3;2*5-8,11-12,15-18H,9-10,13-14H2,1-4H3;5-7,10,13-18H,8-9,11-12H2,1-4H3;5-10,13,16-18H,11-12,14-15H2,1-4H3;2*5-8,11-12,15-17H,9-10,13-14H2,1-4H3.
What are the key properties of [4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)-4-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)pyrimidin-2-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone?
[4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)-4-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)pyrimidin-2-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 3137.06 g/mol, XLogP of 45.83, 21 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2-tert-butyl-4-pyridinyl)phenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)-4-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[6-(2-tert-butyl-4-pyridinyl)-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[2-(2-tert-butyl-4-pyridinyl)pyrimidin-4-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)pyrimidin-2-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 157451433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).