(4-fluorophenyl)-[(8S)-8-methyl-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

C22H21F4N5OS — CID 175795637

IUPAC(4-fluorophenyl)-[(8S)-8-methyl-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESC[C@H]1c2c(N3CCCC3)nc(-c3nc(C(F)(F)F)cs3)n2CCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C22H21F4N5OS/c1-13-17-18(29-8-2-3-9-29)28-19(20-27-16(12-33-20)22(24,25)26)31(17)11-10-30(13)21(32)14-4-6-15(23)7-5-14/h4-7,12-13H,2-3,8-11H2,1H3/t13-/m0/s1
InChIKeyWTZGCGYDMFRJOF-ZDUSSCGKSA-N
MW479.50 g/mol
LogP4.98
Rot. Bonds3

About (4-fluorophenyl)-[(8S)-8-methyl-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

(4-fluorophenyl)-[(8S)-8-methyl-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 175795637) has the molecular formula C22H21F4N5OS and a molecular weight of 479.50 g/mol. Its IUPAC name is (4-fluorophenyl)-[(8S)-8-methyl-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(8S)-8-methyl-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
PubChem CID175795637
Molecular FormulaC22H21F4N5OS
Molecular Weight479.50 g/mol
Exact Mass479.14
IUPAC Name(4-fluorophenyl)-[(8S)-8-methyl-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESC[C@H]1c2c(N3CCCC3)nc(-c3nc(C(F)(F)F)cs3)n2CCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C22H21F4N5OS/c1-13-17-18(29-8-2-3-9-29)28-19(20-27-16(12-33-20)22(24,25)26)31(17)11-10-30(13)21(32)14-4-6-15(23)7-5-14/h4-7,12-13H,2-3,8-11H2,1H3/t13-/m0/s1
InChIKeyWTZGCGYDMFRJOF-ZDUSSCGKSA-N
XLogP4.98
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.50
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-fluorophenyl)-[(8S)-8-methyl-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(8S)-8-methyl-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(8S)-8-methyl-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (CID 175795637) is (4-fluorophenyl)-[(8S)-8-methyl-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(8S)-8-methyl-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(8S)-8-methyl-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is C[C@H]1c2c(N3CCCC3)nc(-c3nc(C(F)(F)F)cs3)n2CCN1C(=O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-[(8S)-8-methyl-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The InChIKey is WTZGCGYDMFRJOF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H21F4N5OS/c1-13-17-18(29-8-2-3-9-29)28-19(20-27-16(12-33-20)22(24,25)26)31(17)11-10-30(13)21(32)14-4-6-15(23)7-5-14/h4-7,12-13H,2-3,8-11H2,1H3/t13-/m0/s1.
What are the key properties of (4-fluorophenyl)-[(8S)-8-methyl-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
(4-fluorophenyl)-[(8S)-8-methyl-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 479.50 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(8S)-8-methyl-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 175795637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).