6-methyl-2-[[methyl-[[1-[[4-[[4-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenyl]methyl]phenyl]methyl]imidazol-2-yl]methyl]amino]methyl]pyridin-3-ol

C39H36F3N5O2 — CID 129301240

IUPAC6-methyl-2-[[methyl-[[1-[[4-[[4-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenyl]methyl]phenyl]methyl]imidazol-2-yl]methyl]amino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CN(C)Cc2nccn2Cc2ccc(Cc3ccc(-c4ccc(Oc5ccc(C(F)(F)F)cn5)c(C)c4)cc3)cc2)n1
InChIInChI=1S/C39H36F3N5O2/c1-26-20-32(13-16-36(26)49-38-17-14-33(22-44-38)39(40,41)42)31-11-9-29(10-12-31)21-28-5-7-30(8-6-28)23-47-19-18-43-37(47)25-46(3)24-34-35(48)15-4-27(2)45-34/h4-20,22,48H,21,23-25H2,1-3H3
InChIKeyXDRVUYOXBOBQJC-UHFFFAOYSA-N
MW663.74 g/mol
LogP8.74
Rot. Bonds11

About 6-methyl-2-[[methyl-[[1-[[4-[[4-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenyl]methyl]phenyl]methyl]imidazol-2-yl]methyl]amino]methyl]pyridin-3-ol

6-methyl-2-[[methyl-[[1-[[4-[[4-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenyl]methyl]phenyl]methyl]imidazol-2-yl]methyl]amino]methyl]pyridin-3-ol (PubChem CID 129301240) has the molecular formula C39H36F3N5O2 and a molecular weight of 663.74 g/mol. Its IUPAC name is 6-methyl-2-[[methyl-[[1-[[4-[[4-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenyl]methyl]phenyl]methyl]imidazol-2-yl]methyl]amino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[[methyl-[[1-[[4-[[4-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenyl]methyl]phenyl]methyl]imidazol-2-yl]methyl]amino]methyl]pyridin-3-ol
PubChem CID129301240
Molecular FormulaC39H36F3N5O2
Molecular Weight663.74 g/mol
Exact Mass663.28
IUPAC Name6-methyl-2-[[methyl-[[1-[[4-[[4-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenyl]methyl]phenyl]methyl]imidazol-2-yl]methyl]amino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CN(C)Cc2nccn2Cc2ccc(Cc3ccc(-c4ccc(Oc5ccc(C(F)(F)F)cn5)c(C)c4)cc3)cc2)n1
InChIInChI=1S/C39H36F3N5O2/c1-26-20-32(13-16-36(26)49-38-17-14-33(22-44-38)39(40,41)42)31-11-9-29(10-12-31)21-28-5-7-30(8-6-28)23-47-19-18-43-37(47)25-46(3)24-34-35(48)15-4-27(2)45-34/h4-20,22,48H,21,23-25H2,1-3H3
InChIKeyXDRVUYOXBOBQJC-UHFFFAOYSA-N
XLogP8.74
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.74
LogP ≤ 58.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methyl-2-[[methyl-[[1-[[4-[[4-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenyl]methyl]phenyl]methyl]imidazol-2-yl]methyl]amino]methyl]pyridin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[methyl-[[1-[[4-[[4-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenyl]methyl]phenyl]methyl]imidazol-2-yl]methyl]amino]methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[[methyl-[[1-[[4-[[4-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenyl]methyl]phenyl]methyl]imidazol-2-yl]methyl]amino]methyl]pyridin-3-ol (CID 129301240) is 6-methyl-2-[[methyl-[[1-[[4-[[4-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenyl]methyl]phenyl]methyl]imidazol-2-yl]methyl]amino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[[methyl-[[1-[[4-[[4-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenyl]methyl]phenyl]methyl]imidazol-2-yl]methyl]amino]methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[[methyl-[[1-[[4-[[4-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenyl]methyl]phenyl]methyl]imidazol-2-yl]methyl]amino]methyl]pyridin-3-ol is Cc1ccc(O)c(CN(C)Cc2nccn2Cc2ccc(Cc3ccc(-c4ccc(Oc5ccc(C(F)(F)F)cn5)c(C)c4)cc3)cc2)n1.
What is the InChIKey of 6-methyl-2-[[methyl-[[1-[[4-[[4-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenyl]methyl]phenyl]methyl]imidazol-2-yl]methyl]amino]methyl]pyridin-3-ol?
The InChIKey is XDRVUYOXBOBQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H36F3N5O2/c1-26-20-32(13-16-36(26)49-38-17-14-33(22-44-38)39(40,41)42)31-11-9-29(10-12-31)21-28-5-7-30(8-6-28)23-47-19-18-43-37(47)25-46(3)24-34-35(48)15-4-27(2)45-34/h4-20,22,48H,21,23-25H2,1-3H3.
What are the key properties of 6-methyl-2-[[methyl-[[1-[[4-[[4-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenyl]methyl]phenyl]methyl]imidazol-2-yl]methyl]amino]methyl]pyridin-3-ol?
6-methyl-2-[[methyl-[[1-[[4-[[4-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenyl]methyl]phenyl]methyl]imidazol-2-yl]methyl]amino]methyl]pyridin-3-ol has a molecular weight of 663.74 g/mol, XLogP of 8.74, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[methyl-[[1-[[4-[[4-[3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenyl]methyl]phenyl]methyl]imidazol-2-yl]methyl]amino]methyl]pyridin-3-ol is sourced from PubChem (CID 129301240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).