7-chloro-5-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine

C19H13ClF2N4O — CID 86675306

IUPAC7-chloro-5-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine
SMILESCOc1ccc(Cn2cc3nc(-c4c(F)cccc4F)nc(Cl)c3n2)cc1
InChIInChI=1S/C19H13ClF2N4O/c1-27-12-7-5-11(6-8-12)9-26-10-15-17(25-26)18(20)24-19(23-15)16-13(21)3-2-4-14(16)22/h2-8,10H,9H2,1H3
InChIKeyZBJZENMSWZPECM-UHFFFAOYSA-N
MW386.79 g/mol
LogP4.48
Rot. Bonds4

About 7-chloro-5-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine

7-chloro-5-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine (PubChem CID 86675306) has the molecular formula C19H13ClF2N4O and a molecular weight of 386.79 g/mol. Its IUPAC name is 7-chloro-5-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine
PubChem CID86675306
Molecular FormulaC19H13ClF2N4O
Molecular Weight386.79 g/mol
Exact Mass386.07
IUPAC Name7-chloro-5-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine
SMILESCOc1ccc(Cn2cc3nc(-c4c(F)cccc4F)nc(Cl)c3n2)cc1
InChIInChI=1S/C19H13ClF2N4O/c1-27-12-7-5-11(6-8-12)9-26-10-15-17(25-26)18(20)24-19(23-15)16-13(21)3-2-4-14(16)22/h2-8,10H,9H2,1H3
InChIKeyZBJZENMSWZPECM-UHFFFAOYSA-N
XLogP4.48
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.79
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine
CID 86675269
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
3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole
CID 118618664
6-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine
CID 177223164
4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline-8-carbonitrile
CID 66574540
1-benzyl-2-(2,6-difluorophenyl)-6-methoxybenzimidazole
CID 134083781
3-(2-chloro-6-fluorophenyl)-5-(4-methoxyphenyl)-1-methyl-1,2,4-triazole
CID 18995923
4-(2-chloro-5-fluoro-4-nitrophenoxy)-1-[(4-methoxyphenyl)methyl]-3-methylpyrazole
CID 141188351

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine?
The IUPAC name of 7-chloro-5-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine (CID 86675306) is 7-chloro-5-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 7-chloro-5-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 7-chloro-5-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine is COc1ccc(Cn2cc3nc(-c4c(F)cccc4F)nc(Cl)c3n2)cc1.
What is the InChIKey of 7-chloro-5-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine?
The InChIKey is ZBJZENMSWZPECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N4O/c1-27-12-7-5-11(6-8-12)9-26-10-15-17(25-26)18(20)24-19(23-15)16-13(21)3-2-4-14(16)22/h2-8,10H,9H2,1H3.
What are the key properties of 7-chloro-5-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine?
7-chloro-5-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine has a molecular weight of 386.79 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 86675306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).