(8R)-8-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-ol

C23H19N5OS — CID 163303480

IUPAC(8R)-8-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-ol
SMILESO[C@@]1(c2cccc(-c3csc(-c4c[nH]c5ncccc45)n3)c2)CCCn2ccnc21
InChIInChI=1S/C23H19N5OS/c29-23(7-3-10-28-11-9-25-22(23)28)16-5-1-4-15(12-16)19-14-30-21(27-19)18-13-26-20-17(18)6-2-8-24-20/h1-2,4-6,8-9,11-14,29H,3,7,10H2,(H,24,26)/t23-/m1/s1
InChIKeyPFQBHTKXLIIZTD-HSZRJFAPSA-N
MW413.51 g/mol
LogP4.58
Rot. Bonds3

About (8R)-8-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-ol

(8R)-8-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-ol (PubChem CID 163303480) has the molecular formula C23H19N5OS and a molecular weight of 413.51 g/mol. Its IUPAC name is (8R)-8-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-ol.

Molecular Properties

Compound Name(8R)-8-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-ol
PubChem CID163303480
Molecular FormulaC23H19N5OS
Molecular Weight413.51 g/mol
Exact Mass413.13
IUPAC Name(8R)-8-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-ol
SMILESO[C@@]1(c2cccc(-c3csc(-c4c[nH]c5ncccc45)n3)c2)CCCn2ccnc21
InChIInChI=1S/C23H19N5OS/c29-23(7-3-10-28-11-9-25-22(23)28)16-5-1-4-15(12-16)19-14-30-21(27-19)18-13-26-20-17(18)6-2-8-24-20/h1-2,4-6,8-9,11-14,29H,3,7,10H2,(H,24,26)/t23-/m1/s1
InChIKeyPFQBHTKXLIIZTD-HSZRJFAPSA-N
XLogP4.58
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (8R)-8-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-ol with MolForge

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Related Compounds

4-[2-[(1R,3R)-1-(oxan-4-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]-1H-imidazol-5-yl]-1,3-thiazole
CID 127031773
1-((R)-4-{4-[5-(1-Hydroxy-cyclopropyl)-1H-benzoimidazol-2-yl]-2-trifluoro methyl-thiazol-5-yl}-2-methyl-piperazin-1-yl)-2-imidazo[4,5-b]pyridin-3-yl-ethanone
CID 89726336
1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-[2-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]ethanone
CID 89726431
US10738057, Example 34
CID 138619380
WO2022104348, Example 110
CID 163303240
WO2022104348, Example 94
CID 163303357
WO2022104348, Example 99
CID 163303423
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

Frequently Asked Questions

What is the IUPAC name of (8R)-8-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-ol?
The IUPAC name of (8R)-8-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-ol (CID 163303480) is (8R)-8-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-ol.
What is the SMILES notation for (8R)-8-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-ol?
The canonical SMILES for (8R)-8-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-ol is O[C@@]1(c2cccc(-c3csc(-c4c[nH]c5ncccc45)n3)c2)CCCn2ccnc21.
What is the InChIKey of (8R)-8-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-ol?
The InChIKey is PFQBHTKXLIIZTD-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H19N5OS/c29-23(7-3-10-28-11-9-25-22(23)28)16-5-1-4-15(12-16)19-14-30-21(27-19)18-13-26-20-17(18)6-2-8-24-20/h1-2,4-6,8-9,11-14,29H,3,7,10H2,(H,24,26)/t23-/m1/s1.
What are the key properties of (8R)-8-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-ol?
(8R)-8-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-ol has a molecular weight of 413.51 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-ol is sourced from PubChem (CID 163303480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).