(7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C23H20F3N5O — CID 46891964

IUPAC(7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCOc1nc(-c2cn3c(n2)[C@H](c2ccccc2C(F)(F)F)CC3)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H20F3N5O/c1-14-11-31(13-27-14)20-8-7-18(29-22(20)32-2)19-12-30-10-9-16(21(30)28-19)15-5-3-4-6-17(15)23(24,25)26/h3-8,11-13,16H,9-10H2,1-2H3/t16-/m0/s1
InChIKeyHAJJXUVKJRZNLA-INIZCTEOSA-N
MW439.44 g/mol
LogP5.00
Rot. Bonds4

About (7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

(7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 46891964) has the molecular formula C23H20F3N5O and a molecular weight of 439.44 g/mol. Its IUPAC name is (7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name(7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID46891964
Molecular FormulaC23H20F3N5O
Molecular Weight439.44 g/mol
Exact Mass439.16
IUPAC Name(7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCOc1nc(-c2cn3c(n2)[C@H](c2ccccc2C(F)(F)F)CC3)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H20F3N5O/c1-14-11-31(13-27-14)20-8-7-18(29-22(20)32-2)19-12-30-10-9-16(21(30)28-19)15-5-3-4-6-17(15)23(24,25)26/h3-8,11-13,16H,9-10H2,1-2H3/t16-/m0/s1
InChIKeyHAJJXUVKJRZNLA-INIZCTEOSA-N
XLogP5.00
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.44
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of (7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 46891964) is (7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for (7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for (7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is COc1nc(-c2cn3c(n2)[C@H](c2ccccc2C(F)(F)F)CC3)ccc1-n1cnc(C)c1.
What is the InChIKey of (7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is HAJJXUVKJRZNLA-INIZCTEOSA-N. The full InChI is InChI=1S/C23H20F3N5O/c1-14-11-31(13-27-14)20-8-7-18(29-22(20)32-2)19-12-30-10-9-16(21(30)28-19)15-5-3-4-6-17(15)23(24,25)26/h3-8,11-13,16H,9-10H2,1-2H3/t16-/m0/s1.
What are the key properties of (7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
(7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 439.44 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 46891964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).