2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]amino]ethanol

C22H26F3N7O — CID 24866965

IUPAC2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]amino]ethanol
SMILESCC1CN(Cc2cn[nH]c2-c2ccc(NCCO)nc2)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C22H26F3N7O/c1-15-13-31(7-8-32(15)20-5-3-18(12-28-20)22(23,24)25)14-17-11-29-30-21(17)16-2-4-19(27-10-16)26-6-9-33/h2-5,10-12,15,33H,6-9,13-14H2,1H3,(H,26,27)(H,29,30)
InChIKeyLGZITQQGVTXXQP-UHFFFAOYSA-N
MW461.49 g/mol
LogP3.00
Rot. Bonds7

About 2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]amino]ethanol

2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]amino]ethanol (PubChem CID 24866965) has the molecular formula C22H26F3N7O and a molecular weight of 461.49 g/mol. Its IUPAC name is 2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]amino]ethanol
PubChem CID24866965
Molecular FormulaC22H26F3N7O
Molecular Weight461.49 g/mol
Exact Mass461.22
IUPAC Name2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]amino]ethanol
SMILESCC1CN(Cc2cn[nH]c2-c2ccc(NCCO)nc2)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C22H26F3N7O/c1-15-13-31(7-8-32(15)20-5-3-18(12-28-20)22(23,24)25)14-17-11-29-30-21(17)16-2-4-19(27-10-16)26-6-9-33/h2-5,10-12,15,33H,6-9,13-14H2,1H3,(H,26,27)(H,29,30)
InChIKeyLGZITQQGVTXXQP-UHFFFAOYSA-N
XLogP3.00
TPSA93.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]amino]ethanol (CID 24866965) is 2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]amino]ethanol is CC1CN(Cc2cn[nH]c2-c2ccc(NCCO)nc2)CCN1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]amino]ethanol?
The InChIKey is LGZITQQGVTXXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N7O/c1-15-13-31(7-8-32(15)20-5-3-18(12-28-20)22(23,24)25)14-17-11-29-30-21(17)16-2-4-19(27-10-16)26-6-9-33/h2-5,10-12,15,33H,6-9,13-14H2,1H3,(H,26,27)(H,29,30).
What are the key properties of 2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]amino]ethanol?
2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]amino]ethanol has a molecular weight of 461.49 g/mol, XLogP of 3.00, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 24866965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).