N-[(4-methoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C23H24N4O4 — CID 126472767

IUPACN-[(4-methoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(CNc2ccnc3c(-c4cc(OC)c(OC)c(OC)c4)cnn23)cc1
InChIInChI=1S/C23H24N4O4/c1-28-17-7-5-15(6-8-17)13-25-21-9-10-24-23-18(14-26-27(21)23)16-11-19(29-2)22(31-4)20(12-16)30-3/h5-12,14,25H,13H2,1-4H3
InChIKeyVZXQWCYCZVGUIB-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.04
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

N-[(4-methoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 126472767) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID126472767
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(CNc2ccnc3c(-c4cc(OC)c(OC)c(OC)c4)cnn23)cc1
InChIInChI=1S/C23H24N4O4/c1-28-17-7-5-15(6-8-17)13-25-21-9-10-24-23-18(14-26-27(21)23)16-11-19(29-2)22(31-4)20(12-16)30-3/h5-12,14,25H,13H2,1-4H3
InChIKeyVZXQWCYCZVGUIB-UHFFFAOYSA-N
XLogP4.04
TPSA79.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 126472767) is N-[(4-methoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(CNc2ccnc3c(-c4cc(OC)c(OC)c(OC)c4)cnn23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VZXQWCYCZVGUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-28-17-7-5-15(6-8-17)13-25-21-9-10-24-23-18(14-26-27(21)23)16-11-19(29-2)22(31-4)20(12-16)30-3/h5-12,14,25H,13H2,1-4H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-[(4-methoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 420.47 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 126472767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).