(7R)-7-amino-3-(3-ethenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C22H17F3N6O — CID 155260638

IUPAC(7R)-7-amino-3-(3-ethenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC=Cc1cnc2ccc(-c3cnn4c3C(=O)N(c3ccc(C(F)(F)F)cc3)C[C@@H]4N)cn12
InChIInChI=1S/C22H17F3N6O/c1-2-15-9-27-19-8-3-13(11-29(15)19)17-10-28-31-18(26)12-30(21(32)20(17)31)16-6-4-14(5-7-16)22(23,24)25/h2-11,18H,1,12,26H2/t18-/m1/s1
InChIKeySNUUWTFJBARZAW-GOSISDBHSA-N
MW438.41 g/mol
LogP3.98
Rot. Bonds3

About (7R)-7-amino-3-(3-ethenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

(7R)-7-amino-3-(3-ethenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 155260638) has the molecular formula C22H17F3N6O and a molecular weight of 438.41 g/mol. Its IUPAC name is (7R)-7-amino-3-(3-ethenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7R)-7-amino-3-(3-ethenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID155260638
Molecular FormulaC22H17F3N6O
Molecular Weight438.41 g/mol
Exact Mass438.14
IUPAC Name(7R)-7-amino-3-(3-ethenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC=Cc1cnc2ccc(-c3cnn4c3C(=O)N(c3ccc(C(F)(F)F)cc3)C[C@@H]4N)cn12
InChIInChI=1S/C22H17F3N6O/c1-2-15-9-27-19-8-3-13(11-29(15)19)17-10-28-31-18(26)12-30(21(32)20(17)31)16-6-4-14(5-7-16)22(23,24)25/h2-11,18H,1,12,26H2/t18-/m1/s1
InChIKeySNUUWTFJBARZAW-GOSISDBHSA-N
XLogP3.98
TPSA81.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-amino-3-(3-ethenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7R)-7-amino-3-(3-ethenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 155260638) is (7R)-7-amino-3-(3-ethenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7R)-7-amino-3-(3-ethenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7R)-7-amino-3-(3-ethenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is C=Cc1cnc2ccc(-c3cnn4c3C(=O)N(c3ccc(C(F)(F)F)cc3)C[C@@H]4N)cn12.
What is the InChIKey of (7R)-7-amino-3-(3-ethenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is SNUUWTFJBARZAW-GOSISDBHSA-N. The full InChI is InChI=1S/C22H17F3N6O/c1-2-15-9-27-19-8-3-13(11-29(15)19)17-10-28-31-18(26)12-30(21(32)20(17)31)16-6-4-14(5-7-16)22(23,24)25/h2-11,18H,1,12,26H2/t18-/m1/s1.
What are the key properties of (7R)-7-amino-3-(3-ethenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
(7R)-7-amino-3-(3-ethenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 438.41 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-amino-3-(3-ethenylimidazo[1,2-a]pyridin-6-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 155260638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).