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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Related Compounds

5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;ethane
CID 142295561
3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-5-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
CID 142295559
3-[(E)-but-1-enyl]-5-chloro-7-methoxy-6-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine
CID 134315433
4-(4-methoxyphenyl)-1-methyl-3-pyridin-2-ylpyrazol-5-amine
CID 62824966
7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 134347336
3-methoxy-N-[7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidin-5-yl]-1,2,4-thiadiazol-5-amine
CID 134307648
3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine;ethane
CID 142295584
4-(4-methoxyphenyl)-3-phenyl-2-pyridin-2-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-one
CID 175783605
2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 11222555
4-chloro-6-(4-methoxyphenyl)-2-pyridin-2-ylpyrimidine-5-carbonitrile
CID 18525977
3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 134307264
7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 140853460

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).