[6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)-1-pyrrolidin-1-ylethanone;[6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol

C134H153F2N31O7 — CID 162227682

IUPAC[6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)-1-pyrrolidin-1-ylethanone;[6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
SMILESCC[C@@H](c1ccc(C)cc1)N(CCF)c1nnc(-c2ccc(-n3cnc(C)c3)c(CO)n2)cc1C.CC[C@@H](c1ccc(C)cc1)N(CCOC)c1nnc(-c2ccc(-n3cnc(C)c3)c(CO)n2)cc1C.Cc1ccc([C@@H](Nc2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C)C(=O)N2CCCC2)cc1.Cc1ccc([C@H](C)N(CCF)c2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C)cc1.Cc1cn(-c2ccc(-c3cc(C)c(N[C@@H](C)c4cccc(C)c4C)nn3)nc2CO)cn1
InChIInChI=1S/C28H31N7O2.C28H34N6O2.C27H31FN6O.C26H29FN6O.C25H28N6O/c1-18-6-8-21(9-7-18)26(28(37)34-12-4-5-13-34)31-27-19(2)14-23(32-33-27)22-10-11-25(24(16-36)30-22)35-15-20(3)29-17-35;1-6-26(22-9-7-19(2)8-10-22)34(13-14-36-5)28-20(3)15-24(31-32-28)23-11-12-27(25(17-35)30-23)33-16-21(4)29-18-33;1-5-25(21-8-6-18(2)7-9-21)34(13-12-28)27-19(3)14-23(31-32-27)22-10-11-26(24(16-35)30-22)33-15-20(4)29-17-33;1-17-5-7-21(8-6-17)20(4)33(12-11-27)26-18(2)13-23(30-31-26)22-9-10-25(24(15-34)29-22)32-14-19(3)28-16-32;1-15-7-6-8-20(18(15)4)19(5)27-25-16(2)11-22(29-30-25)21-9-10-24(23(13-32)28-21)31-12-17(3)26-14-31/h6-11,14-15,17,26,36H,4-5,12-13,16H2,1-3H3,(H,31,33);7-12,15-16,18,26,35H,6,13-14,17H2,1-5H3;6-11,14-15,17,25,35H,5,12-13,16H2,1-4H3;5-10,13-14,16,20,34H,11-12,15H2,1-4H3;6-12,14,19,32H,13H2,1-5H3,(H,27,30)/t2*26-;25-;20-;19-/m10000/s1
InChIKeyZUZAKRRYJWJCTJ-WHDPELRESA-N
MW2347.90 g/mol
LogP23.03
Rot. Bonds40

About [6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)-1-pyrrolidin-1-ylethanone;[6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol

[6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)-1-pyrrolidin-1-ylethanone;[6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol (PubChem CID 162227682) has the molecular formula C134H153F2N31O7 and a molecular weight of 2347.90 g/mol. Its IUPAC name is [6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)-1-pyrrolidin-1-ylethanone;[6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)-1-pyrrolidin-1-ylethanone;[6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
PubChem CID162227682
Molecular FormulaC134H153F2N31O7
Molecular Weight2347.90 g/mol
Exact Mass2346.25
IUPAC Name[6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)-1-pyrrolidin-1-ylethanone;[6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
SMILESCC[C@@H](c1ccc(C)cc1)N(CCF)c1nnc(-c2ccc(-n3cnc(C)c3)c(CO)n2)cc1C.CC[C@@H](c1ccc(C)cc1)N(CCOC)c1nnc(-c2ccc(-n3cnc(C)c3)c(CO)n2)cc1C.Cc1ccc([C@@H](Nc2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C)C(=O)N2CCCC2)cc1.Cc1ccc([C@H](C)N(CCF)c2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C)cc1.Cc1cn(-c2ccc(-c3cc(C)c(N[C@@H](C)c4cccc(C)c4C)nn3)nc2CO)cn1
InChIInChI=1S/C28H31N7O2.C28H34N6O2.C27H31FN6O.C26H29FN6O.C25H28N6O/c1-18-6-8-21(9-7-18)26(28(37)34-12-4-5-13-34)31-27-19(2)14-23(32-33-27)22-10-11-25(24(16-36)30-22)35-15-20(3)29-17-35;1-6-26(22-9-7-19(2)8-10-22)34(13-14-36-5)28-20(3)15-24(31-32-28)23-11-12-27(25(17-35)30-23)33-16-21(4)29-18-33;1-5-25(21-8-6-18(2)7-9-21)34(13-12-28)27-19(3)14-23(31-32-27)22-10-11-26(24(16-35)30-22)33-15-20(4)29-17-33;1-17-5-7-21(8-6-17)20(4)33(12-11-27)26-18(2)13-23(30-31-26)22-9-10-25(24(15-34)29-22)32-14-19(3)28-16-32;1-15-7-6-8-20(18(15)4)19(5)27-25-16(2)11-22(29-30-25)21-9-10-24(23(13-32)28-21)31-12-17(3)26-14-31/h6-11,14-15,17,26,36H,4-5,12-13,16H2,1-3H3,(H,31,33);7-12,15-16,18,26,35H,6,13-14,17H2,1-5H3;6-11,14-15,17,25,35H,5,12-13,16H2,1-4H3;5-10,13-14,16,20,34H,11-12,15H2,1-4H3;6-12,14,19,32H,13H2,1-5H3,(H,27,30)/t2*26-;25-;20-;19-/m10000/s1
InChIKeyZUZAKRRYJWJCTJ-WHDPELRESA-N
XLogP23.03
TPSA446.92 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds40
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002347.90
LogP ≤ 523.03
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Analyze [6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)-1-pyrrolidin-1-ylethanone;[6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol with MolForge

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Launch Full Analysis

Related Compounds

[6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 134391234
[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 134391183
(3S)-3-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-3-(4-methylphenyl)propan-1-ol
CID 134391209
[6-[6-[[(1S)-1-(2,3-difluorophenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(2-fluorophenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(3S)-3-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-3-(4-methylphenyl)propan-1-ol;[6-[6-[[(1S)-1-(2-methoxy-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 158441393
[6-[6-[[(1S)-1-(4-fluoro-2-methoxyphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 134391314
[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(2R)-3-methylbutan-2-yl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 134391195
N-[(2R)-butan-2-yl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-amine
CID 134391564
[6-[6-(cyclopentylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(2S)-3,3-dimethylbutan-2-yl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2S)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)ethanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-(4-methylphenyl)butyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 159255053
[6-[6-[(4,4-difluorocyclohexyl)amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(2-fluorophenyl)butyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(2-fluorophenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(3S)-3-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-3-(4-methylphenyl)propan-1-ol;methane;[6-[6-[[(1S)-1-(2-methoxy-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 160982818
6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methyl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyridazin-3-amine
CID 175029624
[3-(4-methylimidazol-1-yl)-6-[6-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 134391225
4-ethyl-N-[1-(4-fluorophenyl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]pyridazin-3-amine
CID 121305905

Frequently Asked Questions

What is the IUPAC name of [6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)-1-pyrrolidin-1-ylethanone;[6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)-1-pyrrolidin-1-ylethanone;[6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol (CID 162227682) is [6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)-1-pyrrolidin-1-ylethanone;[6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)-1-pyrrolidin-1-ylethanone;[6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)-1-pyrrolidin-1-ylethanone;[6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol is CC[C@@H](c1ccc(C)cc1)N(CCF)c1nnc(-c2ccc(-n3cnc(C)c3)c(CO)n2)cc1C.CC[C@@H](c1ccc(C)cc1)N(CCOC)c1nnc(-c2ccc(-n3cnc(C)c3)c(CO)n2)cc1C.Cc1ccc([C@@H](Nc2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C)C(=O)N2CCCC2)cc1.Cc1ccc([C@H](C)N(CCF)c2nnc(-c3ccc(-n4cnc(C)c4)c(CO)n3)cc2C)cc1.Cc1cn(-c2ccc(-c3cc(C)c(N[C@@H](C)c4cccc(C)c4C)nn3)nc2CO)cn1.
What is the InChIKey of [6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)-1-pyrrolidin-1-ylethanone;[6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
The InChIKey is ZUZAKRRYJWJCTJ-WHDPELRESA-N. The full InChI is InChI=1S/C28H31N7O2.C28H34N6O2.C27H31FN6O.C26H29FN6O.C25H28N6O/c1-18-6-8-21(9-7-18)26(28(37)34-12-4-5-13-34)31-27-19(2)14-23(32-33-27)22-10-11-25(24(16-36)30-22)35-15-20(3)29-17-35;1-6-26(22-9-7-19(2)8-10-22)34(13-14-36-5)28-20(3)15-24(31-32-28)23-11-12-27(25(17-35)30-23)33-16-21(4)29-18-33;1-5-25(21-8-6-18(2)7-9-21)34(13-12-28)27-19(3)14-23(31-32-27)22-10-11-26(24(16-35)30-22)33-15-20(4)29-17-33;1-17-5-7-21(8-6-17)20(4)33(12-11-27)26-18(2)13-23(30-31-26)22-9-10-25(24(15-34)29-22)32-14-19(3)28-16-32;1-15-7-6-8-20(18(15)4)19(5)27-25-16(2)11-22(29-30-25)21-9-10-24(23(13-32)28-21)31-12-17(3)26-14-31/h6-11,14-15,17,26,36H,4-5,12-13,16H2,1-3H3,(H,31,33);7-12,15-16,18,26,35H,6,13-14,17H2,1-5H3;6-11,14-15,17,25,35H,5,12-13,16H2,1-4H3;5-10,13-14,16,20,34H,11-12,15H2,1-4H3;6-12,14,19,32H,13H2,1-5H3,(H,27,30)/t2*26-;25-;20-;19-/m10000/s1.
What are the key properties of [6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)-1-pyrrolidin-1-ylethanone;[6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
[6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)-1-pyrrolidin-1-ylethanone;[6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol has a molecular weight of 2347.90 g/mol, XLogP of 23.03, 40 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-fluoroethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2R)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)-1-pyrrolidin-1-ylethanone;[6-[6-[2-methoxyethyl-[(1S)-1-(4-methylphenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 162227682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).