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

C28H22N6O3S2 — CID 174200021

IUPAC7-[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
SMILESCc1ccc(S(=O)(=O)n2cc(-c3csc(-c4cccc(C5(O)CCn6ccnc65)c4)n3)c3nccnc32)cc1
InChIInChI=1S/C28H22N6O3S2/c1-18-5-7-21(8-6-18)39(36,37)34-16-22(24-25(34)30-11-10-29-24)23-17-38-26(32-23)19-3-2-4-20(15-19)28(35)9-13-33-14-12-31-27(28)33/h2-8,10-12,14-17,35H,9,13H2,1H3
InChIKeyNYMVPIIARCBJCJ-UHFFFAOYSA-N
MW554.66 g/mol
LogP4.60
Rot. Bonds5

About 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

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 (PubChem CID 174200021) has the molecular formula C28H22N6O3S2 and a molecular weight of 554.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID174200021
Molecular FormulaC28H22N6O3S2
Molecular Weight554.66 g/mol
Exact Mass554.12
IUPAC Name7-[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
SMILESCc1ccc(S(=O)(=O)n2cc(-c3csc(-c4cccc(C5(O)CCn6ccnc65)c4)n3)c3nccnc32)cc1
InChIInChI=1S/C28H22N6O3S2/c1-18-5-7-21(8-6-18)39(36,37)34-16-22(24-25(34)30-11-10-29-24)23-17-38-26(32-23)19-3-2-4-20(15-19)28(35)9-13-33-14-12-31-27(28)33/h2-8,10-12,14-17,35H,9,13H2,1H3
InChIKeyNYMVPIIARCBJCJ-UHFFFAOYSA-N
XLogP4.60
TPSA115.79 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.66
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

(7R)-7-[3-[5-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]furan-3-yl]phenyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol
CID 163303410
(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
3-hydroxy-1-methyl-3-[3-[2-[5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
CID 163303448
(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
(3R)-3-[3-[2-[4,5-difluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 163303192
(7R)-7-[3-[4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]phenyl]pyrrolo[1,2-a]imidazol-7-ol
CID 170541393
(4R)-4-[3-[2-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]-5,6-dihydrocyclopenta[d][1,3]thiazol-4-ol
CID 175730815
(3R)-3-[3-[5-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 163303236
(3R)-3-hydroxy-1-methyl-3-[3-[4-[2-[(2-methyl-3-pyridinyl)methylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170573842
(3R)-3-hydroxy-1-methyl-3-[3-[4-[2-[(5-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170574376
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
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(S(=O)(=O)n2cc(-c3csc(-c4cccc(C5(O)CCn6ccnc65)c4)n3)c3nccnc32)cc1.
What is the InChIKey of 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?
The InChIKey is NYMVPIIARCBJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N6O3S2/c1-18-5-7-21(8-6-18)39(36,37)34-16-22(24-25(34)30-11-10-29-24)23-17-38-26(32-23)19-3-2-4-20(15-19)28(35)9-13-33-14-12-31-27(28)33/h2-8,10-12,14-17,35H,9,13H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 554.66 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174200021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).