5-[3-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-one

C19H15F6N5O — CID 166876448

IUPAC5-[3-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCCCCc1c(-n2ccn3nc(C(F)(F)F)cc3c2=O)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C19H15F6N5O/c1-2-3-4-12-16(26-15-6-5-11(10-29(12)15)18(20,21)22)28-7-8-30-13(17(28)31)9-14(27-30)19(23,24)25/h5-10H,2-4H2,1H3
InChIKeyHJRIGUWYSSOJLH-UHFFFAOYSA-N
MW443.35 g/mol
LogP4.51
Rot. Bonds4

About 5-[3-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-one

5-[3-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 166876448) has the molecular formula C19H15F6N5O and a molecular weight of 443.35 g/mol. Its IUPAC name is 5-[3-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[3-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID166876448
Molecular FormulaC19H15F6N5O
Molecular Weight443.35 g/mol
Exact Mass443.12
IUPAC Name5-[3-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCCCCc1c(-n2ccn3nc(C(F)(F)F)cc3c2=O)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C19H15F6N5O/c1-2-3-4-12-16(26-15-6-5-11(10-29(12)15)18(20,21)22)28-7-8-30-13(17(28)31)9-14(27-30)19(23,24)25/h5-10H,2-4H2,1H3
InChIKeyHJRIGUWYSSOJLH-UHFFFAOYSA-N
XLogP4.51
TPSA56.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[3-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-one (CID 166876448) is 5-[3-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[3-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[3-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-one is CCCCc1c(-n2ccn3nc(C(F)(F)F)cc3c2=O)nc2ccc(C(F)(F)F)cn12.
What is the InChIKey of 5-[3-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is HJRIGUWYSSOJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F6N5O/c1-2-3-4-12-16(26-15-6-5-11(10-29(12)15)18(20,21)22)28-7-8-30-13(17(28)31)9-14(27-30)19(23,24)25/h5-10H,2-4H2,1H3.
What are the key properties of 5-[3-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-one?
5-[3-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 443.35 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 166876448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).