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

C24H30F3N7O2 — CID 24866966

IUPAC2-[2-hydroxyethyl-[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(N(CCO)CCO)nc2)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C24H30F3N7O2/c1-17-15-32(6-7-34(17)22-5-3-20(14-29-22)24(25,26)27)16-19-13-30-31-23(19)18-2-4-21(28-12-18)33(8-10-35)9-11-36/h2-5,12-14,17,35-36H,6-11,15-16H2,1H3,(H,30,31)
InChIKeyPCPSAVVNFJVIKW-UHFFFAOYSA-N
MW505.55 g/mol
LogP2.39
Rot. Bonds9

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

2-[2-hydroxyethyl-[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]amino]ethanol (PubChem CID 24866966) has the molecular formula C24H30F3N7O2 and a molecular weight of 505.55 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[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-[2-hydroxyethyl-[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]amino]ethanol
PubChem CID24866966
Molecular FormulaC24H30F3N7O2
Molecular Weight505.55 g/mol
Exact Mass505.24
IUPAC Name2-[2-hydroxyethyl-[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(N(CCO)CCO)nc2)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C24H30F3N7O2/c1-17-15-32(6-7-34(17)22-5-3-20(14-29-22)24(25,26)27)16-19-13-30-31-23(19)18-2-4-21(28-12-18)33(8-10-35)9-11-36/h2-5,12-14,17,35-36H,6-11,15-16H2,1H3,(H,30,31)
InChIKeyPCPSAVVNFJVIKW-UHFFFAOYSA-N
XLogP2.39
TPSA104.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.55
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[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-[2-hydroxyethyl-[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]amino]ethanol (CID 24866966) is 2-[2-hydroxyethyl-[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-[2-hydroxyethyl-[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-[2-hydroxyethyl-[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(N(CCO)CCO)nc2)CCN1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[2-hydroxyethyl-[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]amino]ethanol?
The InChIKey is PCPSAVVNFJVIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N7O2/c1-17-15-32(6-7-34(17)22-5-3-20(14-29-22)24(25,26)27)16-19-13-30-31-23(19)18-2-4-21(28-12-18)33(8-10-35)9-11-36/h2-5,12-14,17,35-36H,6-11,15-16H2,1H3,(H,30,31).
What are the key properties of 2-[2-hydroxyethyl-[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]amino]ethanol?
2-[2-hydroxyethyl-[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 505.55 g/mol, XLogP of 2.39, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[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 24866966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).