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

C22H15F2N5OS — CID 164607791

IUPAC(7R)-7-[3-[2-(4,5-difluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol
SMILESO[C@@]1(c2cccc(-c3csc(-c4c[nH]c5ncc(F)c(F)c45)n3)c2)CCn2ccnc21
InChIInChI=1S/C22H15F2N5OS/c23-15-10-27-19-17(18(15)24)14(9-26-19)20-28-16(11-31-20)12-2-1-3-13(8-12)22(30)4-6-29-7-5-25-21(22)29/h1-3,5,7-11,30H,4,6H2,(H,26,27)/t22-/m1/s1
InChIKeyWZYCQHRMLWASAN-JOCHJYFZSA-N
MW435.46 g/mol
LogP4.47
Rot. Bonds3

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

(7R)-7-[3-[2-(4,5-difluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol (PubChem CID 164607791) has the molecular formula C22H15F2N5OS and a molecular weight of 435.46 g/mol. Its IUPAC name is (7R)-7-[3-[2-(4,5-difluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol.

Molecular Properties

Compound Name(7R)-7-[3-[2-(4,5-difluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol
PubChem CID164607791
Molecular FormulaC22H15F2N5OS
Molecular Weight435.46 g/mol
Exact Mass435.10
IUPAC Name(7R)-7-[3-[2-(4,5-difluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol
SMILESO[C@@]1(c2cccc(-c3csc(-c4c[nH]c5ncc(F)c(F)c45)n3)c2)CCn2ccnc21
InChIInChI=1S/C22H15F2N5OS/c23-15-10-27-19-17(18(15)24)14(9-26-19)20-28-16(11-31-20)12-2-1-3-13(8-12)22(30)4-6-29-7-5-25-21(22)29/h1-3,5,7-11,30H,4,6H2,(H,26,27)/t22-/m1/s1
InChIKeyWZYCQHRMLWASAN-JOCHJYFZSA-N
XLogP4.47
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

WO2022104348, Example 110
CID 163303240
WO2022104348, Example 94
CID 163303357
WO2022104348, Example 99
CID 163303423
WO2022104348, Example 97
CID 163303450
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 41
CID 163303117

Frequently Asked Questions

What is the IUPAC name of (7R)-7-[3-[2-(4,5-difluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol?
The IUPAC name of (7R)-7-[3-[2-(4,5-difluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol (CID 164607791) is (7R)-7-[3-[2-(4,5-difluoro-1H-pyrrolo[2,3-b]pyridin-3-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-(4,5-difluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol?
The canonical SMILES for (7R)-7-[3-[2-(4,5-difluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol is O[C@@]1(c2cccc(-c3csc(-c4c[nH]c5ncc(F)c(F)c45)n3)c2)CCn2ccnc21.
What is the InChIKey of (7R)-7-[3-[2-(4,5-difluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol?
The InChIKey is WZYCQHRMLWASAN-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H15F2N5OS/c23-15-10-27-19-17(18(15)24)14(9-26-19)20-28-16(11-31-20)12-2-1-3-13(8-12)22(30)4-6-29-7-5-25-21(22)29/h1-3,5,7-11,30H,4,6H2,(H,26,27)/t22-/m1/s1.
What are the key properties of (7R)-7-[3-[2-(4,5-difluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol?
(7R)-7-[3-[2-(4,5-difluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol has a molecular weight of 435.46 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-[3-[2-(4,5-difluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol is sourced from PubChem (CID 164607791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).