(7S)-7-methyl-3-(1-methylbenzimidazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C22H18F3N5O — CID 155661711

IUPAC(7S)-7-methyl-3-(1-methylbenzimidazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(-c3ccc4c(c3)ncn4C)cnn21
InChIInChI=1S/C22H18F3N5O/c1-13-11-29(16-6-4-15(5-7-16)22(23,24)25)21(31)20-17(10-27-30(13)20)14-3-8-19-18(9-14)26-12-28(19)2/h3-10,12-13H,11H2,1-2H3/t13-/m0/s1
InChIKeyLNHFYOKHHXSNFV-ZDUSSCGKSA-N
MW425.41 g/mol
LogP4.68
Rot. Bonds2

About (7S)-7-methyl-3-(1-methylbenzimidazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

(7S)-7-methyl-3-(1-methylbenzimidazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 155661711) has the molecular formula C22H18F3N5O and a molecular weight of 425.41 g/mol. Its IUPAC name is (7S)-7-methyl-3-(1-methylbenzimidazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7S)-7-methyl-3-(1-methylbenzimidazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID155661711
Molecular FormulaC22H18F3N5O
Molecular Weight425.41 g/mol
Exact Mass425.15
IUPAC Name(7S)-7-methyl-3-(1-methylbenzimidazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(-c3ccc4c(c3)ncn4C)cnn21
InChIInChI=1S/C22H18F3N5O/c1-13-11-29(16-6-4-15(5-7-16)22(23,24)25)21(31)20-17(10-27-30(13)20)14-3-8-19-18(9-14)26-12-28(19)2/h3-10,12-13H,11H2,1-2H3/t13-/m0/s1
InChIKeyLNHFYOKHHXSNFV-ZDUSSCGKSA-N
XLogP4.68
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-methyl-3-(1-methylbenzimidazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7S)-7-methyl-3-(1-methylbenzimidazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 155661711) is (7S)-7-methyl-3-(1-methylbenzimidazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7S)-7-methyl-3-(1-methylbenzimidazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7S)-7-methyl-3-(1-methylbenzimidazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)c2c(-c3ccc4c(c3)ncn4C)cnn21.
What is the InChIKey of (7S)-7-methyl-3-(1-methylbenzimidazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is LNHFYOKHHXSNFV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H18F3N5O/c1-13-11-29(16-6-4-15(5-7-16)22(23,24)25)21(31)20-17(10-27-30(13)20)14-3-8-19-18(9-14)26-12-28(19)2/h3-10,12-13H,11H2,1-2H3/t13-/m0/s1.
What are the key properties of (7S)-7-methyl-3-(1-methylbenzimidazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
(7S)-7-methyl-3-(1-methylbenzimidazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 425.41 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-methyl-3-(1-methylbenzimidazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 155661711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).