(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

C28H19N5O3S2 — CID 170541393

IUPAC(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
SMILESO=S(=O)(c1ccccc1)n1cc(-c2csc(-c3cccc([C@]4(O)C=Cn5ccnc54)c3)n2)c2cccnc21
InChIInChI=1S/C28H19N5O3S2/c34-28(11-14-32-15-13-30-27(28)32)20-7-4-6-19(16-20)26-31-24(18-37-26)23-17-33(25-22(23)10-5-12-29-25)38(35,36)21-8-2-1-3-9-21/h1-18,34H/t28-/m1/s1
InChIKeyQETPACNSCUZMAF-MUUNZHRXSA-N
MW537.63 g/mol
LogP4.98
Rot. Bonds5

About (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

(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 (PubChem CID 170541393) has the molecular formula C28H19N5O3S2 and a molecular weight of 537.63 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID170541393
Molecular FormulaC28H19N5O3S2
Molecular Weight537.63 g/mol
Exact Mass537.09
IUPAC Name(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
SMILESO=S(=O)(c1ccccc1)n1cc(-c2csc(-c3cccc([C@]4(O)C=Cn5ccnc54)c3)n2)c2cccnc21
InChIInChI=1S/C28H19N5O3S2/c34-28(11-14-32-15-13-30-27(28)32)20-7-4-6-19(16-20)26-31-24(18-37-26)23-17-33(25-22(23)10-5-12-29-25)38(35,36)21-8-2-1-3-9-21/h1-18,34H/t28-/m1/s1
InChIKeyQETPACNSCUZMAF-MUUNZHRXSA-N
XLogP4.98
TPSA102.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.63
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (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 with MolForge

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Related Compounds

(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
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-[5-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 163303236
3-[2-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-methylquinolin-4-yl]phenol
CID 57337841
1-(benzenesulfonyl)-3-(cyclobutadienyl)pyrrolo[2,3-b]pyridine
CID 67156341
(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
2-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(4-phenylphenyl)-6-(trifluoromethyl)quinoline
CID 57337843
(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
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
N-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-4-chloroaniline
CID 141161136
4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-piperidin-1-ylpyridine-2-carbonitrile
CID 66888894
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O=S(=O)(c1ccccc1)n1cc(-c2csc(-c3cccc([C@]4(O)C=Cn5ccnc54)c3)n2)c2cccnc21.
What is the InChIKey of (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?
The InChIKey is QETPACNSCUZMAF-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H19N5O3S2/c34-28(11-14-32-15-13-30-27(28)32)20-7-4-6-19(16-20)26-31-24(18-37-26)23-17-33(25-22(23)10-5-12-29-25)38(35,36)21-8-2-1-3-9-21/h1-18,34H/t28-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 537.63 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 170541393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).