8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

C24H21F4N5O — CID 66777591

IUPAC8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCOc1nc(-c2cn3c(n2)C(c2ccc(F)cc2C(F)(F)F)CCC3)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H21F4N5O/c1-14-11-33(13-29-14)21-8-7-19(31-23(21)34-2)20-12-32-9-3-4-17(22(32)30-20)16-6-5-15(25)10-18(16)24(26,27)28/h5-8,10-13,17H,3-4,9H2,1-2H3
InChIKeyBQIAMXNPEWVWEY-UHFFFAOYSA-N
MW471.46 g/mol
LogP5.53
Rot. Bonds4

About 8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 66777591) has the molecular formula C24H21F4N5O and a molecular weight of 471.46 g/mol. Its IUPAC name is 8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID66777591
Molecular FormulaC24H21F4N5O
Molecular Weight471.46 g/mol
Exact Mass471.17
IUPAC Name8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCOc1nc(-c2cn3c(n2)C(c2ccc(F)cc2C(F)(F)F)CCC3)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H21F4N5O/c1-14-11-33(13-29-14)21-8-7-19(31-23(21)34-2)20-12-32-9-3-4-17(22(32)30-20)16-6-5-15(25)10-18(16)24(26,27)28/h5-8,10-13,17H,3-4,9H2,1-2H3
InChIKeyBQIAMXNPEWVWEY-UHFFFAOYSA-N
XLogP5.53
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.46
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of 8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 66777591) is 8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is COc1nc(-c2cn3c(n2)C(c2ccc(F)cc2C(F)(F)F)CCC3)ccc1-n1cnc(C)c1.
What is the InChIKey of 8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is BQIAMXNPEWVWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N5O/c1-14-11-33(13-29-14)21-8-7-19(31-23(21)34-2)20-12-32-9-3-4-17(22(32)30-20)16-6-5-15(25)10-18(16)24(26,27)28/h5-8,10-13,17H,3-4,9H2,1-2H3.
What are the key properties of 8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 471.46 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 66777591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).