7-[3-(cyclopropylmethoxy)-2-(difluoromethoxy)phenyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C21H17F2N5O2 — CID 66811172

IUPAC7-[3-(cyclopropylmethoxy)-2-(difluoromethoxy)phenyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)Oc1c(OCC2CC2)cccc1-c1ccnc2nc(-c3cccnc3)nn12
InChIInChI=1S/C21H17F2N5O2/c22-20(23)30-18-15(4-1-5-17(18)29-12-13-6-7-13)16-8-10-25-21-26-19(27-28(16)21)14-3-2-9-24-11-14/h1-5,8-11,13,20H,6-7,12H2
InChIKeyHQZNCYIGRXQTOO-UHFFFAOYSA-N
MW409.40 g/mol
LogP4.24
Rot. Bonds7

About 7-[3-(cyclopropylmethoxy)-2-(difluoromethoxy)phenyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine

7-[3-(cyclopropylmethoxy)-2-(difluoromethoxy)phenyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 66811172) has the molecular formula C21H17F2N5O2 and a molecular weight of 409.40 g/mol. Its IUPAC name is 7-[3-(cyclopropylmethoxy)-2-(difluoromethoxy)phenyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[3-(cyclopropylmethoxy)-2-(difluoromethoxy)phenyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID66811172
Molecular FormulaC21H17F2N5O2
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC Name7-[3-(cyclopropylmethoxy)-2-(difluoromethoxy)phenyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)Oc1c(OCC2CC2)cccc1-c1ccnc2nc(-c3cccnc3)nn12
InChIInChI=1S/C21H17F2N5O2/c22-20(23)30-18-15(4-1-5-17(18)29-12-13-6-7-13)16-8-10-25-21-26-19(27-28(16)21)14-3-2-9-24-11-14/h1-5,8-11,13,20H,6-7,12H2
InChIKeyHQZNCYIGRXQTOO-UHFFFAOYSA-N
XLogP4.24
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(cyclopropylmethoxy)-2-(difluoromethoxy)phenyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[3-(cyclopropylmethoxy)-2-(difluoromethoxy)phenyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 66811172) is 7-[3-(cyclopropylmethoxy)-2-(difluoromethoxy)phenyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[3-(cyclopropylmethoxy)-2-(difluoromethoxy)phenyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[3-(cyclopropylmethoxy)-2-(difluoromethoxy)phenyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine is FC(F)Oc1c(OCC2CC2)cccc1-c1ccnc2nc(-c3cccnc3)nn12.
What is the InChIKey of 7-[3-(cyclopropylmethoxy)-2-(difluoromethoxy)phenyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is HQZNCYIGRXQTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O2/c22-20(23)30-18-15(4-1-5-17(18)29-12-13-6-7-13)16-8-10-25-21-26-19(27-28(16)21)14-3-2-9-24-11-14/h1-5,8-11,13,20H,6-7,12H2.
What are the key properties of 7-[3-(cyclopropylmethoxy)-2-(difluoromethoxy)phenyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[3-(cyclopropylmethoxy)-2-(difluoromethoxy)phenyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 409.40 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(cyclopropylmethoxy)-2-(difluoromethoxy)phenyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 66811172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).