2,5-dimethyl-3-phenyl-7-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyrimidine

C20H18N4O — CID 122193198

IUPAC2,5-dimethyl-3-phenyl-7-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(OCc2ccccn2)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C20H18N4O/c1-14-12-18(25-13-17-10-6-7-11-21-17)24-20(22-14)19(15(2)23-24)16-8-4-3-5-9-16/h3-12H,13H2,1-2H3
InChIKeyRTXBRIZEOOPSMR-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.99
Rot. Bonds4

About 2,5-dimethyl-3-phenyl-7-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyrimidine

2,5-dimethyl-3-phenyl-7-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyrimidine (PubChem CID 122193198) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 2,5-dimethyl-3-phenyl-7-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2,5-dimethyl-3-phenyl-7-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyrimidine
PubChem CID122193198
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name2,5-dimethyl-3-phenyl-7-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(OCc2ccccn2)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C20H18N4O/c1-14-12-18(25-13-17-10-6-7-11-21-17)24-20(22-14)19(15(2)23-24)16-8-4-3-5-9-16/h3-12H,13H2,1-2H3
InChIKeyRTXBRIZEOOPSMR-UHFFFAOYSA-N
XLogP3.99
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-phenyl-7-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2,5-dimethyl-3-phenyl-7-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyrimidine (CID 122193198) is 2,5-dimethyl-3-phenyl-7-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2,5-dimethyl-3-phenyl-7-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2,5-dimethyl-3-phenyl-7-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyrimidine is Cc1cc(OCc2ccccn2)n2nc(C)c(-c3ccccc3)c2n1.
What is the InChIKey of 2,5-dimethyl-3-phenyl-7-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyrimidine?
The InChIKey is RTXBRIZEOOPSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-14-12-18(25-13-17-10-6-7-11-21-17)24-20(22-14)19(15(2)23-24)16-8-4-3-5-9-16/h3-12H,13H2,1-2H3.
What are the key properties of 2,5-dimethyl-3-phenyl-7-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyrimidine?
2,5-dimethyl-3-phenyl-7-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyrimidine has a molecular weight of 330.39 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-phenyl-7-(pyridin-2-ylmethoxy)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 122193198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).