(7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole

C23H22F3N5O — CID 70227571

IUPAC(7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole
SMILESCOc1nc(C2CN3CC[C@@H](c4ccccc4C(F)(F)F)C3=N2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H22F3N5O/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/h3-8,11,13,16,19H,9-10,12H2,1-2H3/t16-,19?/m0/s1
InChIKeyMAVFCZPEZJCBMR-UCFFOFKASA-N
MW441.46 g/mol
LogP4.55
Rot. Bonds4

About (7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole

(7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole (PubChem CID 70227571) has the molecular formula C23H22F3N5O and a molecular weight of 441.46 g/mol. Its IUPAC name is (7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name(7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole
PubChem CID70227571
Molecular FormulaC23H22F3N5O
Molecular Weight441.46 g/mol
Exact Mass441.18
IUPAC Name(7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole
SMILESCOc1nc(C2CN3CC[C@@H](c4ccccc4C(F)(F)F)C3=N2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H22F3N5O/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/h3-8,11,13,16,19H,9-10,12H2,1-2H3/t16-,19?/m0/s1
InChIKeyMAVFCZPEZJCBMR-UCFFOFKASA-N
XLogP4.55
TPSA55.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole with MolForge

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Related Compounds

(5R,8S)-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5-methyl-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66839153
(8R)-6,6-difluoro-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine
CID 70226905
2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;sulfuric acid
CID 66623621
(8R)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 159586904
8-[4-chloro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 66777614
8-[5-fluoro-2-(trifluoromethyl)phenyl]-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66839185
2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66839661
2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-9-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]azepine
CID 66777815
[3-(4-methylimidazol-1-yl)-6-[2-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethenyl]-2-pyridinyl] trifluoromethanesulfonate
CID 91418279
(7S)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2H-pyridin-1-yl]ethenyl]-7-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 87175314
N-[1-(9H-fluoren-9-yl)piperidin-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide
CID 52934695
[3-(4-methylimidazol-1-yl)-6-[(E)-2-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethenyl]-2-pyridinyl]methanol
CID 58351059

Frequently Asked Questions

What is the IUPAC name of (7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole?
The IUPAC name of (7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole (CID 70227571) is (7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-3,5,6,7-tetrahydro-2H-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]-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for (7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole is COc1nc(C2CN3CC[C@@H](c4ccccc4C(F)(F)F)C3=N2)ccc1-n1cnc(C)c1.
What is the InChIKey of (7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole?
The InChIKey is MAVFCZPEZJCBMR-UCFFOFKASA-N. The full InChI is InChI=1S/C23H22F3N5O/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/h3-8,11,13,16,19H,9-10,12H2,1-2H3/t16-,19?/m0/s1.
What are the key properties of (7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole?
(7S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[2-(trifluoromethyl)phenyl]-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole has a molecular weight of 441.46 g/mol, XLogP of 4.55, 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]-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 70227571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).