2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]pyrazol-1-yl]ethanol

C20H21N7O2 — CID 163965353

IUPAC2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]pyrazol-1-yl]ethanol
SMILESCc1cccc(-n2nc(C)cc2Oc2ccnc(Nc3cnn(CCO)c3)c2)n1
InChIInChI=1S/C20H21N7O2/c1-14-4-3-5-19(23-14)27-20(10-15(2)25-27)29-17-6-7-21-18(11-17)24-16-12-22-26(13-16)8-9-28/h3-7,10-13,28H,8-9H2,1-2H3,(H,21,24)
InChIKeySLFFNQVICKGIOG-UHFFFAOYSA-N
MW391.44 g/mol
LogP3.00
Rot. Bonds7

About 2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]pyrazol-1-yl]ethanol

2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]pyrazol-1-yl]ethanol (PubChem CID 163965353) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]pyrazol-1-yl]ethanol
PubChem CID163965353
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]pyrazol-1-yl]ethanol
SMILESCc1cccc(-n2nc(C)cc2Oc2ccnc(Nc3cnn(CCO)c3)c2)n1
InChIInChI=1S/C20H21N7O2/c1-14-4-3-5-19(23-14)27-20(10-15(2)25-27)29-17-6-7-21-18(11-17)24-16-12-22-26(13-16)8-9-28/h3-7,10-13,28H,8-9H2,1-2H3,(H,21,24)
InChIKeySLFFNQVICKGIOG-UHFFFAOYSA-N
XLogP3.00
TPSA102.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]pyrazol-1-yl]ethanol (CID 163965353) is 2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]pyrazol-1-yl]ethanol is Cc1cccc(-n2nc(C)cc2Oc2ccnc(Nc3cnn(CCO)c3)c2)n1.
What is the InChIKey of 2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]pyrazol-1-yl]ethanol?
The InChIKey is SLFFNQVICKGIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-14-4-3-5-19(23-14)27-20(10-15(2)25-27)29-17-6-7-21-18(11-17)24-16-12-22-26(13-16)8-9-28/h3-7,10-13,28H,8-9H2,1-2H3,(H,21,24).
What are the key properties of 2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]pyrazol-1-yl]ethanol?
2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]pyrazol-1-yl]ethanol has a molecular weight of 391.44 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[5-methyl-2-(6-methyl-2-pyridinyl)pyrazol-3-yl]oxy-2-pyridinyl]amino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 163965353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).