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

C21H16N6OS — CID 163303511

IUPAC(7R)-7-[3-[2-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol
SMILESO[C@@]1(c2cccc(-c3csc(-c4c[nH]c5nnccc45)n3)c2)CCn2ccnc21
InChIInChI=1S/C21H16N6OS/c28-21(5-8-27-9-7-22-20(21)27)14-3-1-2-13(10-14)17-12-29-19(25-17)16-11-23-18-15(16)4-6-24-26-18/h1-4,6-7,9-12,28H,5,8H2,(H,23,26)/t21-/m1/s1
InChIKeyGYMQTIADWCHNIK-OAQYLSRUSA-N
MW400.47 g/mol
LogP3.58
Rot. Bonds3

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

(7R)-7-[3-[2-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol (PubChem CID 163303511) has the molecular formula C21H16N6OS and a molecular weight of 400.47 g/mol. Its IUPAC name is (7R)-7-[3-[2-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol.

Molecular Properties

Compound Name(7R)-7-[3-[2-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol
PubChem CID163303511
Molecular FormulaC21H16N6OS
Molecular Weight400.47 g/mol
Exact Mass400.11
IUPAC Name(7R)-7-[3-[2-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol
SMILESO[C@@]1(c2cccc(-c3csc(-c4c[nH]c5nnccc45)n3)c2)CCn2ccnc21
InChIInChI=1S/C21H16N6OS/c28-21(5-8-27-9-7-22-20(21)27)14-3-1-2-13(10-14)17-12-29-19(25-17)16-11-23-18-15(16)4-6-24-26-18/h1-4,6-7,9-12,28H,5,8H2,(H,23,26)/t21-/m1/s1
InChIKeyGYMQTIADWCHNIK-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-(7H-pyrrolo[2,3-c]pyridazin-5-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 41
CID 163303117
WO2022104348, Example 83
CID 163303127
WO2022104348, Example 84
CID 163303231
WO2022104348, Example 76
CID 163303250
WO2022104348, Example 2
CID 163303289
WO2022104348, Example 32
CID 163303327
WO2022104348, Example 42
CID 163303360

Frequently Asked Questions

What is the IUPAC name of (7R)-7-[3-[2-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol?
The IUPAC name of (7R)-7-[3-[2-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol (CID 163303511) is (7R)-7-[3-[2-(7H-pyrrolo[2,3-c]pyridazin-5-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-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol?
The canonical SMILES for (7R)-7-[3-[2-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol is O[C@@]1(c2cccc(-c3csc(-c4c[nH]c5nnccc45)n3)c2)CCn2ccnc21.
What is the InChIKey of (7R)-7-[3-[2-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol?
The InChIKey is GYMQTIADWCHNIK-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H16N6OS/c28-21(5-8-27-9-7-22-20(21)27)14-3-1-2-13(10-14)17-12-29-19(25-17)16-11-23-18-15(16)4-6-24-26-18/h1-4,6-7,9-12,28H,5,8H2,(H,23,26)/t21-/m1/s1.
What are the key properties of (7R)-7-[3-[2-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol?
(7R)-7-[3-[2-(7H-pyrrolo[2,3-c]pyridazin-5-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-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol is sourced from PubChem (CID 163303511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).