(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

C30H24N4O4S — CID 163303410

IUPAC(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
SMILESCc1ccc(S(=O)(=O)n2cc(-c3cc(-c4cccc([C@]5(O)CCn6ccnc65)c4)co3)c3cccnc32)cc1
InChIInChI=1S/C30H24N4O4S/c1-20-7-9-24(10-8-20)39(36,37)34-18-26(25-6-3-12-31-28(25)34)27-17-22(19-38-27)21-4-2-5-23(16-21)30(35)11-14-33-15-13-32-29(30)33/h2-10,12-13,15-19,35H,11,14H2,1H3/t30-/m1/s1
InChIKeyAHENDBNPTSAWGE-SSEXGKCCSA-N
MW536.61 g/mol
LogP5.34
Rot. Bonds5

About (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

(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 (PubChem CID 163303410) has the molecular formula C30H24N4O4S and a molecular weight of 536.61 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID163303410
Molecular FormulaC30H24N4O4S
Molecular Weight536.61 g/mol
Exact Mass536.15
IUPAC Name(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
SMILESCc1ccc(S(=O)(=O)n2cc(-c3cc(-c4cccc([C@]5(O)CCn6ccnc65)c4)co3)c3cccnc32)cc1
InChIInChI=1S/C30H24N4O4S/c1-20-7-9-24(10-8-20)39(36,37)34-18-26(25-6-3-12-31-28(25)34)27-17-22(19-38-27)21-4-2-5-23(16-21)30(35)11-14-33-15-13-32-29(30)33/h2-10,12-13,15-19,35H,11,14H2,1H3/t30-/m1/s1
InChIKeyAHENDBNPTSAWGE-SSEXGKCCSA-N
XLogP5.34
TPSA103.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.61
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1ccc(S(=O)(=O)n2cc(-c3cc(-c4cccc([C@]5(O)CCn6ccnc65)c4)co3)c3cccnc32)cc1.
What is the InChIKey of (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?
The InChIKey is AHENDBNPTSAWGE-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H24N4O4S/c1-20-7-9-24(10-8-20)39(36,37)34-18-26(25-6-3-12-31-28(25)34)27-17-22(19-38-27)21-4-2-5-23(16-21)30(35)11-14-33-15-13-32-29(30)33/h2-10,12-13,15-19,35H,11,14H2,1H3/t30-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 536.61 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 163303410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).