2-[[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropen-1-yl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]oxy]propane-1,3-diol

C23H24N4O5 — CID 129167293

IUPAC2-[[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropen-1-yl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]oxy]propane-1,3-diol
SMILESCOc1ccc(C2=C(COc3nc(C)ncc3-c3ccc(OC(CO)CO)nc3)C2)nc1
InChIInChI=1S/C23H24N4O5/c1-14-24-10-20(15-3-6-22(26-8-15)32-18(11-28)12-29)23(27-14)31-13-16-7-19(16)21-5-4-17(30-2)9-25-21/h3-6,8-10,18,28-29H,7,11-13H2,1-2H3
InChIKeyQRHXSAUVABOXSW-UHFFFAOYSA-N
MW436.47 g/mol
LogP2.22
Rot. Bonds10

About 2-[[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropen-1-yl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]oxy]propane-1,3-diol

2-[[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropen-1-yl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]oxy]propane-1,3-diol (PubChem CID 129167293) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 2-[[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropen-1-yl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]oxy]propane-1,3-diol.

Molecular Properties

Compound Name2-[[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropen-1-yl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]oxy]propane-1,3-diol
PubChem CID129167293
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name2-[[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropen-1-yl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]oxy]propane-1,3-diol
SMILESCOc1ccc(C2=C(COc3nc(C)ncc3-c3ccc(OC(CO)CO)nc3)C2)nc1
InChIInChI=1S/C23H24N4O5/c1-14-24-10-20(15-3-6-22(26-8-15)32-18(11-28)12-29)23(27-14)31-13-16-7-19(16)21-5-4-17(30-2)9-25-21/h3-6,8-10,18,28-29H,7,11-13H2,1-2H3
InChIKeyQRHXSAUVABOXSW-UHFFFAOYSA-N
XLogP2.22
TPSA119.71 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropen-1-yl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]oxy]propane-1,3-diol?
The IUPAC name of 2-[[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropen-1-yl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]oxy]propane-1,3-diol (CID 129167293) is 2-[[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropen-1-yl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]oxy]propane-1,3-diol.
What is the SMILES notation for 2-[[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropen-1-yl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]oxy]propane-1,3-diol?
The canonical SMILES for 2-[[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropen-1-yl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]oxy]propane-1,3-diol is COc1ccc(C2=C(COc3nc(C)ncc3-c3ccc(OC(CO)CO)nc3)C2)nc1.
What is the InChIKey of 2-[[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropen-1-yl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]oxy]propane-1,3-diol?
The InChIKey is QRHXSAUVABOXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-14-24-10-20(15-3-6-22(26-8-15)32-18(11-28)12-29)23(27-14)31-13-16-7-19(16)21-5-4-17(30-2)9-25-21/h3-6,8-10,18,28-29H,7,11-13H2,1-2H3.
What are the key properties of 2-[[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropen-1-yl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]oxy]propane-1,3-diol?
2-[[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropen-1-yl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]oxy]propane-1,3-diol has a molecular weight of 436.47 g/mol, XLogP of 2.22, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropen-1-yl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]oxy]propane-1,3-diol is sourced from PubChem (CID 129167293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).