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

C24H26N4O6 — CID 24866388

IUPACN,3-bis(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1cc(Nc2ccn3ncc(-c4cc(OC)c(OC)c(OC)c4)c3n2)cc(OC)c1OC
InChIInChI=1S/C24H26N4O6/c1-29-17-9-14(10-18(30-2)22(17)33-5)16-13-25-28-8-7-21(27-24(16)28)26-15-11-19(31-3)23(34-6)20(12-15)32-4/h7-13H,1-6H3,(H,26,27)
InChIKeyQSWXIBZQQCBUAM-UHFFFAOYSA-N
MW466.49 g/mol
LogP4.19
Rot. Bonds9

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

N,3-bis(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 24866388) has the molecular formula C24H26N4O6 and a molecular weight of 466.49 g/mol. Its IUPAC name is N,3-bis(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN,3-bis(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID24866388
Molecular FormulaC24H26N4O6
Molecular Weight466.49 g/mol
Exact Mass466.19
IUPAC NameN,3-bis(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1cc(Nc2ccn3ncc(-c4cc(OC)c(OC)c(OC)c4)c3n2)cc(OC)c1OC
InChIInChI=1S/C24H26N4O6/c1-29-17-9-14(10-18(30-2)22(17)33-5)16-13-25-28-8-7-21(27-24(16)28)26-15-11-19(31-3)23(34-6)20(12-15)32-4/h7-13H,1-6H3,(H,26,27)
InChIKeyQSWXIBZQQCBUAM-UHFFFAOYSA-N
XLogP4.19
TPSA97.60 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N,3-bis(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N,3-bis(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 24866388) is N,3-bis(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N,3-bis(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N,3-bis(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine is COc1cc(Nc2ccn3ncc(-c4cc(OC)c(OC)c(OC)c4)c3n2)cc(OC)c1OC.
What is the InChIKey of N,3-bis(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is QSWXIBZQQCBUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O6/c1-29-17-9-14(10-18(30-2)22(17)33-5)16-13-25-28-8-7-21(27-24(16)28)26-15-11-19(31-3)23(34-6)20(12-15)32-4/h7-13H,1-6H3,(H,26,27).
What are the key properties of N,3-bis(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
N,3-bis(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 466.49 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 24866388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).