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

C21H16N6OS — CID 163303117

IUPAC(7R)-7-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol
SMILESO[C@@]1(c2cccc(-c3csc(-c4c[nH]c5nccnc45)n3)c2)CCn2ccnc21
InChIInChI=1S/C21H16N6OS/c28-21(4-8-27-9-7-24-20(21)27)14-3-1-2-13(10-14)16-12-29-19(26-16)15-11-25-18-17(15)22-5-6-23-18/h1-3,5-7,9-12,28H,4,8H2,(H,23,25)/t21-/m1/s1
InChIKeyCORIXJQXOPQMJX-OAQYLSRUSA-N
MW400.47 g/mol
LogP3.58
Rot. Bonds3

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

(7R)-7-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol (PubChem CID 163303117) has the molecular formula C21H16N6OS and a molecular weight of 400.47 g/mol. Its IUPAC name is (7R)-7-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol.

Molecular Properties

Compound Name(7R)-7-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol
PubChem CID163303117
Molecular FormulaC21H16N6OS
Molecular Weight400.47 g/mol
Exact Mass400.11
IUPAC Name(7R)-7-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol
SMILESO[C@@]1(c2cccc(-c3csc(-c4c[nH]c5nccnc45)n3)c2)CCn2ccnc21
InChIInChI=1S/C21H16N6OS/c28-21(4-8-27-9-7-24-20(21)27)14-3-1-2-13(10-14)16-12-29-19(26-16)15-11-25-18-17(15)22-5-6-23-18/h1-3,5-7,9-12,28H,4,8H2,(H,23,25)/t21-/m1/s1
InChIKeyCORIXJQXOPQMJX-OAQYLSRUSA-N
XLogP3.58
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

WO2022104348, Example 97
CID 163303450
WO2022104348, Example 96
CID 164607791
WO2022104348, Example 24
CID 164607763
WO2022104348, Example 25
CID 164607764
WO2022104348, Example 29
CID 164607768
WO2022104348, Example 56
CID 164607773
WO2022104348, Example 57
CID 164607774
WO2022104348, Example 44
CID 163303143
WO2022104348, Example 43
CID 163303267
WO2022104348, Example 7
CID 163303125
WO2022104348, Example 83
CID 163303127
WO2022104348, Example 54
CID 163303146

Frequently Asked Questions

What is the IUPAC name of (7R)-7-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol?
The IUPAC name of (7R)-7-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol (CID 163303117) is (7R)-7-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol.
What is the SMILES notation for (7R)-7-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol?
The canonical SMILES for (7R)-7-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol is O[C@@]1(c2cccc(-c3csc(-c4c[nH]c5nccnc45)n3)c2)CCn2ccnc21.
What is the InChIKey of (7R)-7-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol?
The InChIKey is CORIXJQXOPQMJX-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H16N6OS/c28-21(4-8-27-9-7-24-20(21)27)14-3-1-2-13(10-14)16-12-29-19(26-16)15-11-25-18-17(15)22-5-6-23-18/h1-3,5-7,9-12,28H,4,8H2,(H,23,25)/t21-/m1/s1.
What are the key properties of (7R)-7-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol?
(7R)-7-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol has a molecular weight of 400.47 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol is sourced from PubChem (CID 163303117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).