7-hydroxy-6-methyl-4-[2-(4-propan-2-ylcyclohexyl)oxy-5-propan-2-ylsulfonylphenyl]pyrrolo[2,3-b]pyridine

C26H34N2O4S — CID 135279066

IUPAC7-hydroxy-6-methyl-4-[2-(4-propan-2-ylcyclohexyl)oxy-5-propan-2-ylsulfonylphenyl]pyrrolo[2,3-b]pyridine
SMILESCc1cc(-c2cc(S(=O)(=O)C(C)C)ccc2OC2CCC(C(C)C)CC2)c2ccnc-2n1O
InChIInChI=1S/C26H34N2O4S/c1-16(2)19-6-8-20(9-7-19)32-25-11-10-21(33(30,31)17(3)4)15-24(25)23-14-18(5)28(29)26-22(23)12-13-27-26/h10-17,19-20,29H,6-9H2,1-5H3
InChIKeyKFSPEJIDWDJATE-UHFFFAOYSA-N
MW470.64 g/mol
LogP5.98
Rot. Bonds6

About 7-hydroxy-6-methyl-4-[2-(4-propan-2-ylcyclohexyl)oxy-5-propan-2-ylsulfonylphenyl]pyrrolo[2,3-b]pyridine

7-hydroxy-6-methyl-4-[2-(4-propan-2-ylcyclohexyl)oxy-5-propan-2-ylsulfonylphenyl]pyrrolo[2,3-b]pyridine (PubChem CID 135279066) has the molecular formula C26H34N2O4S and a molecular weight of 470.64 g/mol. Its IUPAC name is 7-hydroxy-6-methyl-4-[2-(4-propan-2-ylcyclohexyl)oxy-5-propan-2-ylsulfonylphenyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name7-hydroxy-6-methyl-4-[2-(4-propan-2-ylcyclohexyl)oxy-5-propan-2-ylsulfonylphenyl]pyrrolo[2,3-b]pyridine
PubChem CID135279066
Molecular FormulaC26H34N2O4S
Molecular Weight470.64 g/mol
Exact Mass470.22
IUPAC Name7-hydroxy-6-methyl-4-[2-(4-propan-2-ylcyclohexyl)oxy-5-propan-2-ylsulfonylphenyl]pyrrolo[2,3-b]pyridine
SMILESCc1cc(-c2cc(S(=O)(=O)C(C)C)ccc2OC2CCC(C(C)C)CC2)c2ccnc-2n1O
InChIInChI=1S/C26H34N2O4S/c1-16(2)19-6-8-20(9-7-19)32-25-11-10-21(33(30,31)17(3)4)15-24(25)23-14-18(5)28(29)26-22(23)12-13-27-26/h10-17,19-20,29H,6-9H2,1-5H3
InChIKeyKFSPEJIDWDJATE-UHFFFAOYSA-N
XLogP5.98
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.64
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4,4-difluorocyclohexyl)oxy-5-ethylsulfonylphenyl]-7-hydroxy-6-methylpyrrolo[2,3-b]pyridine
CID 135278758
4-[5-ethylsulfonyl-2-[(1-methylcyclopropyl)methoxy]phenyl]-7-hydroxy-6-methylpyrrolo[2,3-b]pyridine
CID 135279052
4-[5-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)-2-[3-(trifluoromethyl)phenoxy]phenyl]-7-hydroxy-6-methylpyrrolo[2,3-b]pyridine
CID 146714086
2-[4-[4-ethylsulfonyl-2-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)phenoxy]phenyl]acetamide
CID 135278916
7-hydroxy-6-methyl-4-[2-(3-oxabicyclo[3.1.0]hexan-6-ylmethoxy)-5-(1,1,1-trifluoropropan-2-ylsulfonyl)-3-pyridinyl]pyrrolo[2,3-b]pyridine
CID 162608656
4-(4-propan-2-ylcyclohexyl)oxyquinoline
CID 155416383
2-(4-propan-2-ylcyclohexyl)oxybenzoic acid
CID 70444480
1,2-dimethyl-4-propan-2-ylsulfonylbenzene
CID 58551166
1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 71798870
1-(1-cyclopropylethylsulfonyl)-4-methylbenzene
CID 135078085
2-(4-propan-2-ylsulfonylphenyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethanone
CID 121150397
4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyridin-3-ol
CID 57267140

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-methyl-4-[2-(4-propan-2-ylcyclohexyl)oxy-5-propan-2-ylsulfonylphenyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 7-hydroxy-6-methyl-4-[2-(4-propan-2-ylcyclohexyl)oxy-5-propan-2-ylsulfonylphenyl]pyrrolo[2,3-b]pyridine (CID 135279066) is 7-hydroxy-6-methyl-4-[2-(4-propan-2-ylcyclohexyl)oxy-5-propan-2-ylsulfonylphenyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 7-hydroxy-6-methyl-4-[2-(4-propan-2-ylcyclohexyl)oxy-5-propan-2-ylsulfonylphenyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 7-hydroxy-6-methyl-4-[2-(4-propan-2-ylcyclohexyl)oxy-5-propan-2-ylsulfonylphenyl]pyrrolo[2,3-b]pyridine is Cc1cc(-c2cc(S(=O)(=O)C(C)C)ccc2OC2CCC(C(C)C)CC2)c2ccnc-2n1O.
What is the InChIKey of 7-hydroxy-6-methyl-4-[2-(4-propan-2-ylcyclohexyl)oxy-5-propan-2-ylsulfonylphenyl]pyrrolo[2,3-b]pyridine?
The InChIKey is KFSPEJIDWDJATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4S/c1-16(2)19-6-8-20(9-7-19)32-25-11-10-21(33(30,31)17(3)4)15-24(25)23-14-18(5)28(29)26-22(23)12-13-27-26/h10-17,19-20,29H,6-9H2,1-5H3.
What are the key properties of 7-hydroxy-6-methyl-4-[2-(4-propan-2-ylcyclohexyl)oxy-5-propan-2-ylsulfonylphenyl]pyrrolo[2,3-b]pyridine?
7-hydroxy-6-methyl-4-[2-(4-propan-2-ylcyclohexyl)oxy-5-propan-2-ylsulfonylphenyl]pyrrolo[2,3-b]pyridine has a molecular weight of 470.64 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-methyl-4-[2-(4-propan-2-ylcyclohexyl)oxy-5-propan-2-ylsulfonylphenyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 135279066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).