5,6-dimethyl-N-(pyridin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine

C21H18F3N5O — CID 164624877

IUPAC5,6-dimethyl-N-(pyridin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2c(-c3ccc(OC(F)(F)F)cc3)cnn2c(NCc2ccccn2)c1C
InChIInChI=1S/C21H18F3N5O/c1-13-14(2)28-20-18(15-6-8-17(9-7-15)30-21(22,23)24)12-27-29(20)19(13)26-11-16-5-3-4-10-25-16/h3-10,12,26H,11H2,1-2H3
InChIKeyPVFSTZDVKNSWMR-UHFFFAOYSA-N
MW413.40 g/mol
LogP4.92
Rot. Bonds5

About 5,6-dimethyl-N-(pyridin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine

5,6-dimethyl-N-(pyridin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 164624877) has the molecular formula C21H18F3N5O and a molecular weight of 413.40 g/mol. Its IUPAC name is 5,6-dimethyl-N-(pyridin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(pyridin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID164624877
Molecular FormulaC21H18F3N5O
Molecular Weight413.40 g/mol
Exact Mass413.15
IUPAC Name5,6-dimethyl-N-(pyridin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2c(-c3ccc(OC(F)(F)F)cc3)cnn2c(NCc2ccccn2)c1C
InChIInChI=1S/C21H18F3N5O/c1-13-14(2)28-20-18(15-6-8-17(9-7-15)30-21(22,23)24)12-27-29(20)19(13)26-11-16-5-3-4-10-25-16/h3-10,12,26H,11H2,1-2H3
InChIKeyPVFSTZDVKNSWMR-UHFFFAOYSA-N
XLogP4.92
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.40
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(pyridin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5,6-dimethyl-N-(pyridin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 164624877) is 5,6-dimethyl-N-(pyridin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5,6-dimethyl-N-(pyridin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5,6-dimethyl-N-(pyridin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1nc2c(-c3ccc(OC(F)(F)F)cc3)cnn2c(NCc2ccccn2)c1C.
What is the InChIKey of 5,6-dimethyl-N-(pyridin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PVFSTZDVKNSWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O/c1-13-14(2)28-20-18(15-6-8-17(9-7-15)30-21(22,23)24)12-27-29(20)19(13)26-11-16-5-3-4-10-25-16/h3-10,12,26H,11H2,1-2H3.
What are the key properties of 5,6-dimethyl-N-(pyridin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5,6-dimethyl-N-(pyridin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 413.40 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(pyridin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 164624877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).