7-chloro-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine

C21H19ClN4O3 — CID 86675269

IUPAC7-chloro-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine
SMILESCOc1ccc(Cn2cc3nc(-c4cc(OC)ccc4OC)nc(Cl)c3n2)cc1
InChIInChI=1S/C21H19ClN4O3/c1-27-14-6-4-13(5-7-14)11-26-12-17-19(25-26)20(22)24-21(23-17)16-10-15(28-2)8-9-18(16)29-3/h4-10,12H,11H2,1-3H3
InChIKeyFDSXWKOZZZVCMJ-UHFFFAOYSA-N
MW410.86 g/mol
LogP4.22
Rot. Bonds6

About 7-chloro-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine

7-chloro-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine (PubChem CID 86675269) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is 7-chloro-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine
PubChem CID86675269
Molecular FormulaC21H19ClN4O3
Molecular Weight410.86 g/mol
Exact Mass410.11
IUPAC Name7-chloro-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine
SMILESCOc1ccc(Cn2cc3nc(-c4cc(OC)ccc4OC)nc(Cl)c3n2)cc1
InChIInChI=1S/C21H19ClN4O3/c1-27-14-6-4-13(5-7-14)11-26-12-17-19(25-26)20(22)24-21(23-17)16-10-15(28-2)8-9-18(16)29-3/h4-10,12H,11H2,1-3H3
InChIKeyFDSXWKOZZZVCMJ-UHFFFAOYSA-N
XLogP4.22
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-chloro-2-[(4-methoxyphenyl)methyl]-5-(1-methyl-1,2,4-triazol-3-yl)pyrazolo[4,3-d]pyrimidine
CID 90105081
7-chloro-5-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine
CID 86675306
7-chloro-2-[(4-methoxyphenyl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidine
CID 90104061
7-chloro-2-[(4-methoxyphenyl)methyl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyrazolo[4,3-d]pyrimidine
CID 90104713
7-chloro-2-[(4-methoxyphenyl)methyl]-5-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[4,3-d]pyrimidine
CID 86675255
7-chloro-2-[(4-methoxyphenyl)methyl]-5-(2-phenylcyclopropyl)pyrazolo[4,3-d]pyrimidine
CID 90103986
5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine
CID 66313783
4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline-8-carbonitrile
CID 66574540
5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidine
CID 66313822
4-chloro-2-(2,5-dimethoxyphenyl)-6-ethoxypyrimidine
CID 82169554
6-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine
CID 177223164
2-[[5-(2,5-dimethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 104602319

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine?
The IUPAC name of 7-chloro-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine (CID 86675269) is 7-chloro-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 7-chloro-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 7-chloro-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine is COc1ccc(Cn2cc3nc(-c4cc(OC)ccc4OC)nc(Cl)c3n2)cc1.
What is the InChIKey of 7-chloro-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine?
The InChIKey is FDSXWKOZZZVCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3/c1-27-14-6-4-13(5-7-14)11-26-12-17-19(25-26)20(22)24-21(23-17)16-10-15(28-2)8-9-18(16)29-3/h4-10,12H,11H2,1-3H3.
What are the key properties of 7-chloro-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine?
7-chloro-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine has a molecular weight of 410.86 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 86675269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).