(6R)-6-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol

C23H16F3N5OS — CID 164607764

IUPAC(6R)-6-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol
SMILESO[C@@]1(c2cccc(-c3csc(-c4c[nH]c5ncc(C(F)(F)F)cc45)n3)c2)Cc2nccn2C1
InChIInChI=1S/C23H16F3N5OS/c24-23(25,26)15-7-16-17(10-29-20(16)28-9-15)21-30-18(11-33-21)13-2-1-3-14(6-13)22(32)8-19-27-4-5-31(19)12-22/h1-7,9-11,32H,8,12H2,(H,28,29)/t22-/m0/s1
InChIKeyCPAMTGZFFUYQBZ-QFIPXVFZSA-N
MW467.48 g/mol
LogP5.01
Rot. Bonds3

About (6R)-6-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol

(6R)-6-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol (PubChem CID 164607764) has the molecular formula C23H16F3N5OS and a molecular weight of 467.48 g/mol. Its IUPAC name is (6R)-6-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol.

Molecular Properties

Compound Name(6R)-6-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol
PubChem CID164607764
Molecular FormulaC23H16F3N5OS
Molecular Weight467.48 g/mol
Exact Mass467.10
IUPAC Name(6R)-6-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol
SMILESO[C@@]1(c2cccc(-c3csc(-c4c[nH]c5ncc(C(F)(F)F)cc45)n3)c2)Cc2nccn2C1
InChIInChI=1S/C23H16F3N5OS/c24-23(25,26)15-7-16-17(10-29-20(16)28-9-15)21-30-18(11-33-21)13-2-1-3-14(6-13)22(32)8-19-27-4-5-31(19)12-22/h1-7,9-11,32H,8,12H2,(H,28,29)/t22-/m0/s1
InChIKeyCPAMTGZFFUYQBZ-QFIPXVFZSA-N
XLogP5.01
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.48
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (6R)-6-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol?
The IUPAC name of (6R)-6-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol (CID 164607764) is (6R)-6-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol.
What is the SMILES notation for (6R)-6-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol?
The canonical SMILES for (6R)-6-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol is O[C@@]1(c2cccc(-c3csc(-c4c[nH]c5ncc(C(F)(F)F)cc45)n3)c2)Cc2nccn2C1.
What is the InChIKey of (6R)-6-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol?
The InChIKey is CPAMTGZFFUYQBZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H16F3N5OS/c24-23(25,26)15-7-16-17(10-29-20(16)28-9-15)21-30-18(11-33-21)13-2-1-3-14(6-13)22(32)8-19-27-4-5-31(19)12-22/h1-7,9-11,32H,8,12H2,(H,28,29)/t22-/m0/s1.
What are the key properties of (6R)-6-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol?
(6R)-6-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol has a molecular weight of 467.48 g/mol, XLogP of 5.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol is sourced from PubChem (CID 164607764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).