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

C21H16N6OS — CID 164607759

IUPAC(6R)-6-[3-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol
SMILESO[C@@]1(c2cccc(-c3csc(-c4c[nH]c5ncncc45)n3)c2)Cc2nccn2C1
InChIInChI=1S/C21H16N6OS/c28-21(7-18-23-4-5-27(18)11-21)14-3-1-2-13(6-14)17-10-29-20(26-17)16-9-24-19-15(16)8-22-12-25-19/h1-6,8-10,12,28H,7,11H2,(H,22,24,25)/t21-/m0/s1
InChIKeyKLUMANUPWVHBMT-NRFANRHFSA-N
MW400.47 g/mol
LogP3.39
Rot. Bonds3

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

(6R)-6-[3-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol (PubChem CID 164607759) has the molecular formula C21H16N6OS and a molecular weight of 400.47 g/mol. Its IUPAC name is (6R)-6-[3-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol.

Molecular Properties

Compound Name(6R)-6-[3-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol
PubChem CID164607759
Molecular FormulaC21H16N6OS
Molecular Weight400.47 g/mol
Exact Mass400.11
IUPAC Name(6R)-6-[3-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol
SMILESO[C@@]1(c2cccc(-c3csc(-c4c[nH]c5ncncc45)n3)c2)Cc2nccn2C1
InChIInChI=1S/C21H16N6OS/c28-21(7-18-23-4-5-27(18)11-21)14-3-1-2-13(6-14)17-10-29-20(26-17)16-9-24-19-15(16)8-22-12-25-19/h1-6,8-10,12,28H,7,11H2,(H,22,24,25)/t21-/m0/s1
InChIKeyKLUMANUPWVHBMT-NRFANRHFSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

(7S)-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 163303360
(7S)-7-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol
CID 163303231
(7S)-7-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[c]pyridin-7-ol
CID 163303210
(3S)-3-hydroxy-1-methyl-3-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]pyrrolo[3,2-b]pyridin-2-one
CID 163303516
1-(1-methylimidazol-2-yl)-1-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]ethanol
CID 170541363
(3R)-3-hydroxy-3-[3-[2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-4-yl]phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 163303143
(3R)-3-[3-[2-(2-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 163303186
3-hydroxy-1-methyl-3-[3-[4-[2-[(5-methylpyrimidin-4-yl)amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170574205
3-[3-[4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-2-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 174200257
5-[4-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-pyridin-3-ylpyrimidin-2-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 159936040
7-[3-[4-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-1,3-thiazol-2-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol
CID 174200021
(3R)-3-[3-[4-(2-chloropyrimidin-4-yl)-1,3-thiazol-2-yl]phenyl]-1-methyl-2H-pyrrol-3-ol
CID 176894906

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[3-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol?
The IUPAC name of (6R)-6-[3-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol (CID 164607759) is (6R)-6-[3-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-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-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol?
The canonical SMILES for (6R)-6-[3-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol is O[C@@]1(c2cccc(-c3csc(-c4c[nH]c5ncncc45)n3)c2)Cc2nccn2C1.
What is the InChIKey of (6R)-6-[3-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol?
The InChIKey is KLUMANUPWVHBMT-NRFANRHFSA-N. The full InChI is InChI=1S/C21H16N6OS/c28-21(7-18-23-4-5-27(18)11-21)14-3-1-2-13(6-14)17-10-29-20(26-17)16-9-24-19-15(16)8-22-12-25-19/h1-6,8-10,12,28H,7,11H2,(H,22,24,25)/t21-/m0/s1.
What are the key properties of (6R)-6-[3-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol?
(6R)-6-[3-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol has a molecular weight of 400.47 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[3-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-thiazol-4-yl]phenyl]-5,7-dihydropyrrolo[1,2-a]imidazol-6-ol is sourced from PubChem (CID 164607759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).