5-chloro-7-methoxy-6-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine;ethane

C27H25ClN4O2 — CID 142295566

IUPAC5-chloro-7-methoxy-6-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine;ethane
SMILESCC.COc1ccc(-c2c(Cl)nc3c(-c4ccccc4)c(-c4ccccn4)nn3c2OC)cc1
InChIInChI=1S/C25H19ClN4O2.C2H6/c1-31-18-13-11-17(12-14-18)21-23(26)28-24-20(16-8-4-3-5-9-16)22(19-10-6-7-15-27-19)29-30(24)25(21)32-2;1-2/h3-15H,1-2H3;1-2H3
InChIKeyOWNYICGYTOMYDO-UHFFFAOYSA-N
MW472.98 g/mol
LogP6.82
Rot. Bonds5

About 5-chloro-7-methoxy-6-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine;ethane

5-chloro-7-methoxy-6-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine;ethane (PubChem CID 142295566) has the molecular formula C27H25ClN4O2 and a molecular weight of 472.98 g/mol. Its IUPAC name is 5-chloro-7-methoxy-6-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine;ethane.

Molecular Properties

Compound Name5-chloro-7-methoxy-6-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine;ethane
PubChem CID142295566
Molecular FormulaC27H25ClN4O2
Molecular Weight472.98 g/mol
Exact Mass472.17
IUPAC Name5-chloro-7-methoxy-6-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine;ethane
SMILESCC.COc1ccc(-c2c(Cl)nc3c(-c4ccccc4)c(-c4ccccn4)nn3c2OC)cc1
InChIInChI=1S/C25H19ClN4O2.C2H6/c1-31-18-13-11-17(12-14-18)21-23(26)28-24-20(16-8-4-3-5-9-16)22(19-10-6-7-15-27-19)29-30(24)25(21)32-2;1-2/h3-15H,1-2H3;1-2H3
InChIKeyOWNYICGYTOMYDO-UHFFFAOYSA-N
XLogP6.82
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.98
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methoxy-6-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine;ethane?
The IUPAC name of 5-chloro-7-methoxy-6-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine;ethane (CID 142295566) is 5-chloro-7-methoxy-6-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine;ethane.
What is the SMILES notation for 5-chloro-7-methoxy-6-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine;ethane?
The canonical SMILES for 5-chloro-7-methoxy-6-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine;ethane is CC.COc1ccc(-c2c(Cl)nc3c(-c4ccccc4)c(-c4ccccn4)nn3c2OC)cc1.
What is the InChIKey of 5-chloro-7-methoxy-6-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine;ethane?
The InChIKey is OWNYICGYTOMYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O2.C2H6/c1-31-18-13-11-17(12-14-18)21-23(26)28-24-20(16-8-4-3-5-9-16)22(19-10-6-7-15-27-19)29-30(24)25(21)32-2;1-2/h3-15H,1-2H3;1-2H3.
What are the key properties of 5-chloro-7-methoxy-6-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine;ethane?
5-chloro-7-methoxy-6-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine;ethane has a molecular weight of 472.98 g/mol, XLogP of 6.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methoxy-6-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine;ethane is sourced from PubChem (CID 142295566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).