2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C26H25F3N8O3 — CID 162378677

IUPAC2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCOc1ncnc(C2CC2)c1-c1nc2n(n1)CCC(=O)N2C(C)c1ccc(-n2nc(C(F)(F)F)cc2OC)cc1
InChIInChI=1S/C26H25F3N8O3/c1-14(15-6-8-17(9-7-15)37-20(39-2)12-18(33-37)26(27,28)29)36-19(38)10-11-35-25(36)32-23(34-35)21-22(16-4-5-16)30-13-31-24(21)40-3/h6-9,12-14,16H,4-5,10-11H2,1-3H3
InChIKeyUXYWOBSOSYTHLB-UHFFFAOYSA-N
MW554.53 g/mol
LogP4.33
Rot. Bonds7

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 162378677) has the molecular formula C26H25F3N8O3 and a molecular weight of 554.53 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID162378677
Molecular FormulaC26H25F3N8O3
Molecular Weight554.53 g/mol
Exact Mass554.20
IUPAC Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCOc1ncnc(C2CC2)c1-c1nc2n(n1)CCC(=O)N2C(C)c1ccc(-n2nc(C(F)(F)F)cc2OC)cc1
InChIInChI=1S/C26H25F3N8O3/c1-14(15-6-8-17(9-7-15)37-20(39-2)12-18(33-37)26(27,28)29)36-19(38)10-11-35-25(36)32-23(34-35)21-22(16-4-5-16)30-13-31-24(21)40-3/h6-9,12-14,16H,4-5,10-11H2,1-3H3
InChIKeyUXYWOBSOSYTHLB-UHFFFAOYSA-N
XLogP4.33
TPSA113.08 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.53
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 162378677) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is COc1ncnc(C2CC2)c1-c1nc2n(n1)CCC(=O)N2C(C)c1ccc(-n2nc(C(F)(F)F)cc2OC)cc1.
What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is UXYWOBSOSYTHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N8O3/c1-14(15-6-8-17(9-7-15)37-20(39-2)12-18(33-37)26(27,28)29)36-19(38)10-11-35-25(36)32-23(34-35)21-22(16-4-5-16)30-13-31-24(21)40-3/h6-9,12-14,16H,4-5,10-11H2,1-3H3.
What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 554.53 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 162378677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).