[2-[1-[1-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]propan-2-yl]pyrazol-3-yl]-3-pyridinyl]methanol

C24H28N6O2 — CID 123621233

IUPAC[2-[1-[1-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]propan-2-yl]pyrazol-3-yl]-3-pyridinyl]methanol
SMILESCC(COCc1cccnc1-c1ccnn1C(C)C)n1ccc(-c2ncccc2CO)n1
InChIInChI=1S/C24H28N6O2/c1-17(2)30-22(8-12-27-30)24-20(7-5-11-26-24)16-32-15-18(3)29-13-9-21(28-29)23-19(14-31)6-4-10-25-23/h4-13,17-18,31H,14-16H2,1-3H3
InChIKeyFAUGMOFWSDVIQI-UHFFFAOYSA-N
MW432.53 g/mol
LogP4.05
Rot. Bonds9

About [2-[1-[1-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]propan-2-yl]pyrazol-3-yl]-3-pyridinyl]methanol

[2-[1-[1-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]propan-2-yl]pyrazol-3-yl]-3-pyridinyl]methanol (PubChem CID 123621233) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is [2-[1-[1-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]propan-2-yl]pyrazol-3-yl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[1-[1-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]propan-2-yl]pyrazol-3-yl]-3-pyridinyl]methanol
PubChem CID123621233
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name[2-[1-[1-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]propan-2-yl]pyrazol-3-yl]-3-pyridinyl]methanol
SMILESCC(COCc1cccnc1-c1ccnn1C(C)C)n1ccc(-c2ncccc2CO)n1
InChIInChI=1S/C24H28N6O2/c1-17(2)30-22(8-12-27-30)24-20(7-5-11-26-24)16-32-15-18(3)29-13-9-21(28-29)23-19(14-31)6-4-10-25-23/h4-13,17-18,31H,14-16H2,1-3H3
InChIKeyFAUGMOFWSDVIQI-UHFFFAOYSA-N
XLogP4.05
TPSA90.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-[1-[1-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]propan-2-yl]pyrazol-3-yl]-3-pyridinyl]methanol?
The IUPAC name of [2-[1-[1-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]propan-2-yl]pyrazol-3-yl]-3-pyridinyl]methanol (CID 123621233) is [2-[1-[1-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]propan-2-yl]pyrazol-3-yl]-3-pyridinyl]methanol.
What is the SMILES notation for [2-[1-[1-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]propan-2-yl]pyrazol-3-yl]-3-pyridinyl]methanol?
The canonical SMILES for [2-[1-[1-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]propan-2-yl]pyrazol-3-yl]-3-pyridinyl]methanol is CC(COCc1cccnc1-c1ccnn1C(C)C)n1ccc(-c2ncccc2CO)n1.
What is the InChIKey of [2-[1-[1-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]propan-2-yl]pyrazol-3-yl]-3-pyridinyl]methanol?
The InChIKey is FAUGMOFWSDVIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-17(2)30-22(8-12-27-30)24-20(7-5-11-26-24)16-32-15-18(3)29-13-9-21(28-29)23-19(14-31)6-4-10-25-23/h4-13,17-18,31H,14-16H2,1-3H3.
What are the key properties of [2-[1-[1-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]propan-2-yl]pyrazol-3-yl]-3-pyridinyl]methanol?
[2-[1-[1-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]propan-2-yl]pyrazol-3-yl]-3-pyridinyl]methanol has a molecular weight of 432.53 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[1-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]propan-2-yl]pyrazol-3-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 123621233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).