2-[7-(6-methoxy-3-pyridinyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

C25H26N4O4 — CID 70660319

IUPAC2-[7-(6-methoxy-3-pyridinyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCOc1ccc(-c2c(C(OC(C)(C)C)C(=O)O)c(C)nc3cc(-c4ccccc4)nn23)cn1
InChIInChI=1S/C25H26N4O4/c1-15-21(23(24(30)31)33-25(2,3)4)22(17-11-12-20(32-5)26-14-17)29-19(27-15)13-18(28-29)16-9-7-6-8-10-16/h6-14,23H,1-5H3,(H,30,31)
InChIKeyUYTHPCCOIWTKIE-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.72
Rot. Bonds6

About 2-[7-(6-methoxy-3-pyridinyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

2-[7-(6-methoxy-3-pyridinyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 70660319) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-[7-(6-methoxy-3-pyridinyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[7-(6-methoxy-3-pyridinyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
PubChem CID70660319
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name2-[7-(6-methoxy-3-pyridinyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCOc1ccc(-c2c(C(OC(C)(C)C)C(=O)O)c(C)nc3cc(-c4ccccc4)nn23)cn1
InChIInChI=1S/C25H26N4O4/c1-15-21(23(24(30)31)33-25(2,3)4)22(17-11-12-20(32-5)26-14-17)29-19(27-15)13-18(28-29)16-9-7-6-8-10-16/h6-14,23H,1-5H3,(H,30,31)
InChIKeyUYTHPCCOIWTKIE-UHFFFAOYSA-N
XLogP4.72
TPSA98.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(6-methoxy-3-pyridinyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The IUPAC name of 2-[7-(6-methoxy-3-pyridinyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 70660319) is 2-[7-(6-methoxy-3-pyridinyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.
What is the SMILES notation for 2-[7-(6-methoxy-3-pyridinyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The canonical SMILES for 2-[7-(6-methoxy-3-pyridinyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is COc1ccc(-c2c(C(OC(C)(C)C)C(=O)O)c(C)nc3cc(-c4ccccc4)nn23)cn1.
What is the InChIKey of 2-[7-(6-methoxy-3-pyridinyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The InChIKey is UYTHPCCOIWTKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-15-21(23(24(30)31)33-25(2,3)4)22(17-11-12-20(32-5)26-14-17)29-19(27-15)13-18(28-29)16-9-7-6-8-10-16/h6-14,23H,1-5H3,(H,30,31).
What are the key properties of 2-[7-(6-methoxy-3-pyridinyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
2-[7-(6-methoxy-3-pyridinyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 446.51 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(6-methoxy-3-pyridinyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 70660319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).