4-[3-(5-methoxy-3-pyridinyl)phenyl]-4-methyl-2-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrazin-6-amine

C20H18F3N5O — CID 56948645

IUPAC4-[3-(5-methoxy-3-pyridinyl)phenyl]-4-methyl-2-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrazin-6-amine
SMILESCOc1cncc(-c2cccc(C3(C)N=C(N)Cn4nc(C(F)(F)F)cc43)c2)c1
InChIInChI=1S/C20H18F3N5O/c1-19(17-8-16(20(21,22)23)27-28(17)11-18(24)26-19)14-5-3-4-12(6-14)13-7-15(29-2)10-25-9-13/h3-10H,11H2,1-2H3,(H2,24,26)
InChIKeyHBLZHQXEHRTBCK-UHFFFAOYSA-N
MW401.39 g/mol
LogP3.61
Rot. Bonds3

About 4-[3-(5-methoxy-3-pyridinyl)phenyl]-4-methyl-2-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrazin-6-amine

4-[3-(5-methoxy-3-pyridinyl)phenyl]-4-methyl-2-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrazin-6-amine (PubChem CID 56948645) has the molecular formula C20H18F3N5O and a molecular weight of 401.39 g/mol. Its IUPAC name is 4-[3-(5-methoxy-3-pyridinyl)phenyl]-4-methyl-2-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrazin-6-amine.

Molecular Properties

Compound Name4-[3-(5-methoxy-3-pyridinyl)phenyl]-4-methyl-2-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrazin-6-amine
PubChem CID56948645
Molecular FormulaC20H18F3N5O
Molecular Weight401.39 g/mol
Exact Mass401.15
IUPAC Name4-[3-(5-methoxy-3-pyridinyl)phenyl]-4-methyl-2-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrazin-6-amine
SMILESCOc1cncc(-c2cccc(C3(C)N=C(N)Cn4nc(C(F)(F)F)cc43)c2)c1
InChIInChI=1S/C20H18F3N5O/c1-19(17-8-16(20(21,22)23)27-28(17)11-18(24)26-19)14-5-3-4-12(6-14)13-7-15(29-2)10-25-9-13/h3-10H,11H2,1-2H3,(H2,24,26)
InChIKeyHBLZHQXEHRTBCK-UHFFFAOYSA-N
XLogP3.61
TPSA78.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-methoxy-3-pyridinyl)phenyl]-4-methyl-2-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrazin-6-amine?
The IUPAC name of 4-[3-(5-methoxy-3-pyridinyl)phenyl]-4-methyl-2-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrazin-6-amine (CID 56948645) is 4-[3-(5-methoxy-3-pyridinyl)phenyl]-4-methyl-2-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrazin-6-amine.
What is the SMILES notation for 4-[3-(5-methoxy-3-pyridinyl)phenyl]-4-methyl-2-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrazin-6-amine?
The canonical SMILES for 4-[3-(5-methoxy-3-pyridinyl)phenyl]-4-methyl-2-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrazin-6-amine is COc1cncc(-c2cccc(C3(C)N=C(N)Cn4nc(C(F)(F)F)cc43)c2)c1.
What is the InChIKey of 4-[3-(5-methoxy-3-pyridinyl)phenyl]-4-methyl-2-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrazin-6-amine?
The InChIKey is HBLZHQXEHRTBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O/c1-19(17-8-16(20(21,22)23)27-28(17)11-18(24)26-19)14-5-3-4-12(6-14)13-7-15(29-2)10-25-9-13/h3-10H,11H2,1-2H3,(H2,24,26).
What are the key properties of 4-[3-(5-methoxy-3-pyridinyl)phenyl]-4-methyl-2-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrazin-6-amine?
4-[3-(5-methoxy-3-pyridinyl)phenyl]-4-methyl-2-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrazin-6-amine has a molecular weight of 401.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-methoxy-3-pyridinyl)phenyl]-4-methyl-2-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrazin-6-amine is sourced from PubChem (CID 56948645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).