3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine

C22H22N4O4 — CID 59662437

IUPAC3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1cccc(-c2cnn3ccc(Nc4cc(OC)c(OC)c(OC)c4)nc23)c1
InChIInChI=1S/C22H22N4O4/c1-27-16-7-5-6-14(10-16)17-13-23-26-9-8-20(25-22(17)26)24-15-11-18(28-2)21(30-4)19(12-15)29-3/h5-13H,1-4H3,(H,24,25)
InChIKeyASIQIDDVKLALRN-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.17
Rot. Bonds7

About 3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine

3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 59662437) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID59662437
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1cccc(-c2cnn3ccc(Nc4cc(OC)c(OC)c(OC)c4)nc23)c1
InChIInChI=1S/C22H22N4O4/c1-27-16-7-5-6-14(10-16)17-13-23-26-9-8-20(25-22(17)26)24-15-11-18(28-2)21(30-4)19(12-15)29-3/h5-13H,1-4H3,(H,24,25)
InChIKeyASIQIDDVKLALRN-UHFFFAOYSA-N
XLogP4.17
TPSA79.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 59662437) is 3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine is COc1cccc(-c2cnn3ccc(Nc4cc(OC)c(OC)c(OC)c4)nc23)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is ASIQIDDVKLALRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-27-16-7-5-6-14(10-16)17-13-23-26-9-8-20(25-22(17)26)24-15-11-18(28-2)21(30-4)19(12-15)29-3/h5-13H,1-4H3,(H,24,25).
What are the key properties of 3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 406.44 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 59662437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).