6-(3-chlorophenyl)-5-methyl-3-(2,3,4-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C22H21ClN4O3 — CID 69176706

IUPAC6-(3-chlorophenyl)-5-methyl-3-(2,3,4-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cnn3c(N)c(-c4cccc(Cl)c4)c(C)nc23)c(OC)c1OC
InChIInChI=1S/C22H21ClN4O3/c1-12-18(13-6-5-7-14(23)10-13)21(24)27-22(26-12)16(11-25-27)15-8-9-17(28-2)20(30-4)19(15)29-3/h5-11H,24H2,1-4H3
InChIKeyKQERUVDYGDBEAS-UHFFFAOYSA-N
MW424.89 g/mol
LogP4.63
Rot. Bonds5

About 6-(3-chlorophenyl)-5-methyl-3-(2,3,4-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

6-(3-chlorophenyl)-5-methyl-3-(2,3,4-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 69176706) has the molecular formula C22H21ClN4O3 and a molecular weight of 424.89 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-5-methyl-3-(2,3,4-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(3-chlorophenyl)-5-methyl-3-(2,3,4-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID69176706
Molecular FormulaC22H21ClN4O3
Molecular Weight424.89 g/mol
Exact Mass424.13
IUPAC Name6-(3-chlorophenyl)-5-methyl-3-(2,3,4-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cnn3c(N)c(-c4cccc(Cl)c4)c(C)nc23)c(OC)c1OC
InChIInChI=1S/C22H21ClN4O3/c1-12-18(13-6-5-7-14(23)10-13)21(24)27-22(26-12)16(11-25-27)15-8-9-17(28-2)20(30-4)19(15)29-3/h5-11H,24H2,1-4H3
InChIKeyKQERUVDYGDBEAS-UHFFFAOYSA-N
XLogP4.63
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-5-methyl-3-(2,3,4-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(3-chlorophenyl)-5-methyl-3-(2,3,4-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 69176706) is 6-(3-chlorophenyl)-5-methyl-3-(2,3,4-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(3-chlorophenyl)-5-methyl-3-(2,3,4-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(3-chlorophenyl)-5-methyl-3-(2,3,4-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2cnn3c(N)c(-c4cccc(Cl)c4)c(C)nc23)c(OC)c1OC.
What is the InChIKey of 6-(3-chlorophenyl)-5-methyl-3-(2,3,4-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KQERUVDYGDBEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3/c1-12-18(13-6-5-7-14(23)10-13)21(24)27-22(26-12)16(11-25-27)15-8-9-17(28-2)20(30-4)19(15)29-3/h5-11H,24H2,1-4H3.
What are the key properties of 6-(3-chlorophenyl)-5-methyl-3-(2,3,4-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-(3-chlorophenyl)-5-methyl-3-(2,3,4-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 424.89 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-5-methyl-3-(2,3,4-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 69176706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).