7-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-5-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C24H19F3N6O2 — CID 135877315

IUPAC7-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-5-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1cc(C2C=C(c3ccncc3)Nc3nnnn32)ccc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H19F3N6O2/c1-34-22-12-17(5-6-21(22)35-14-15-3-2-4-18(11-15)24(25,26)27)20-13-19(16-7-9-28-10-8-16)29-23-30-31-32-33(20)23/h2-13,20H,14H2,1H3,(H,29,30,32)
InChIKeyVJLKQEJWBRHMFM-UHFFFAOYSA-N
MW480.45 g/mol
LogP4.73
Rot. Bonds6

About 7-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-5-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine

7-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-5-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 135877315) has the molecular formula C24H19F3N6O2 and a molecular weight of 480.45 g/mol. Its IUPAC name is 7-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-5-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-5-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID135877315
Molecular FormulaC24H19F3N6O2
Molecular Weight480.45 g/mol
Exact Mass480.15
IUPAC Name7-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-5-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1cc(C2C=C(c3ccncc3)Nc3nnnn32)ccc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H19F3N6O2/c1-34-22-12-17(5-6-21(22)35-14-15-3-2-4-18(11-15)24(25,26)27)20-13-19(16-7-9-28-10-8-16)29-23-30-31-32-33(20)23/h2-13,20H,14H2,1H3,(H,29,30,32)
InChIKeyVJLKQEJWBRHMFM-UHFFFAOYSA-N
XLogP4.73
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-5-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-5-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 135877315) is 7-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-5-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-5-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-5-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is COc1cc(C2C=C(c3ccncc3)Nc3nnnn32)ccc1OCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 7-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-5-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is VJLKQEJWBRHMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O2/c1-34-22-12-17(5-6-21(22)35-14-15-3-2-4-18(11-15)24(25,26)27)20-13-19(16-7-9-28-10-8-16)29-23-30-31-32-33(20)23/h2-13,20H,14H2,1H3,(H,29,30,32).
What are the key properties of 7-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-5-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
7-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-5-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 480.45 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-5-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135877315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).