(3aR,4S,6aS)-4-(4-phenylimidazol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C22H21F3N4 — CID 54675119

IUPAC(3aR,4S,6aS)-4-(4-phenylimidazol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESFC(F)(F)c1cccc(N2C[C@H]3CC[C@H](n4cnc(-c5ccccc5)c4)[C@H]3C2)n1
InChIInChI=1S/C22H21F3N4/c23-22(24,25)20-7-4-8-21(27-20)28-11-16-9-10-19(17(16)12-28)29-13-18(26-14-29)15-5-2-1-3-6-15/h1-8,13-14,16-17,19H,9-12H2/t16-,17+,19+/m1/s1
InChIKeyJALRSFPIQDNILN-AOIWGVFYSA-N
MW398.43 g/mol
LogP5.05
Rot. Bonds3

About (3aR,4S,6aS)-4-(4-phenylimidazol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

(3aR,4S,6aS)-4-(4-phenylimidazol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 54675119) has the molecular formula C22H21F3N4 and a molecular weight of 398.43 g/mol. Its IUPAC name is (3aR,4S,6aS)-4-(4-phenylimidazol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name(3aR,4S,6aS)-4-(4-phenylimidazol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID54675119
Molecular FormulaC22H21F3N4
Molecular Weight398.43 g/mol
Exact Mass398.17
IUPAC Name(3aR,4S,6aS)-4-(4-phenylimidazol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESFC(F)(F)c1cccc(N2C[C@H]3CC[C@H](n4cnc(-c5ccccc5)c4)[C@H]3C2)n1
InChIInChI=1S/C22H21F3N4/c23-22(24,25)20-7-4-8-21(27-20)28-11-16-9-10-19(17(16)12-28)29-13-18(26-14-29)15-5-2-1-3-6-15/h1-8,13-14,16-17,19H,9-12H2/t16-,17+,19+/m1/s1
InChIKeyJALRSFPIQDNILN-AOIWGVFYSA-N
XLogP5.05
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.43
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aR,4S,6aS)-4-(4-phenylimidazol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aR,4S,6aS)-4-(4-phenylimidazol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of (3aR,4S,6aS)-4-(4-phenylimidazol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 54675119) is (3aR,4S,6aS)-4-(4-phenylimidazol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for (3aR,4S,6aS)-4-(4-phenylimidazol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for (3aR,4S,6aS)-4-(4-phenylimidazol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is FC(F)(F)c1cccc(N2C[C@H]3CC[C@H](n4cnc(-c5ccccc5)c4)[C@H]3C2)n1.
What is the InChIKey of (3aR,4S,6aS)-4-(4-phenylimidazol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is JALRSFPIQDNILN-AOIWGVFYSA-N. The full InChI is InChI=1S/C22H21F3N4/c23-22(24,25)20-7-4-8-21(27-20)28-11-16-9-10-19(17(16)12-28)29-13-18(26-14-29)15-5-2-1-3-6-15/h1-8,13-14,16-17,19H,9-12H2/t16-,17+,19+/m1/s1.
What are the key properties of (3aR,4S,6aS)-4-(4-phenylimidazol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
(3aR,4S,6aS)-4-(4-phenylimidazol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 398.43 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S,6aS)-4-(4-phenylimidazol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 54675119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).