4-[5-(2-hydroxypropan-2-yl)-2-[2-oxo-5-[3-(piperidin-4-ylmethyl)azetidin-1-yl]-1-pyridinyl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one

C38H43N5O5S — CID 171082798

IUPAC4-[5-(2-hydroxypropan-2-yl)-2-[2-oxo-5-[3-(piperidin-4-ylmethyl)azetidin-1-yl]-1-pyridinyl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one
SMILESCc1ccc(S(=O)(=O)n2ccc3c(-c4cc(C(C)(C)O)ccc4-n4cc(N5CC(CC6CCNCC6)C5)ccc4=O)cn(C)c(=O)c32)cc1
InChIInChI=1S/C38H43N5O5S/c1-25-5-9-30(10-6-25)49(47,48)43-18-15-31-33(24-40(4)37(45)36(31)43)32-20-28(38(2,3)46)7-11-34(32)42-23-29(8-12-35(42)44)41-21-27(22-41)19-26-13-16-39-17-14-26/h5-12,15,18,20,23-24,26-27,39,46H,13-14,16-17,19,21-22H2,1-4H3
InChIKeyYCQIAVXOEZUBPQ-UHFFFAOYSA-N
MW681.86 g/mol
LogP4.76
Rot. Bonds8

About 4-[5-(2-hydroxypropan-2-yl)-2-[2-oxo-5-[3-(piperidin-4-ylmethyl)azetidin-1-yl]-1-pyridinyl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one

4-[5-(2-hydroxypropan-2-yl)-2-[2-oxo-5-[3-(piperidin-4-ylmethyl)azetidin-1-yl]-1-pyridinyl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one (PubChem CID 171082798) has the molecular formula C38H43N5O5S and a molecular weight of 681.86 g/mol. Its IUPAC name is 4-[5-(2-hydroxypropan-2-yl)-2-[2-oxo-5-[3-(piperidin-4-ylmethyl)azetidin-1-yl]-1-pyridinyl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[5-(2-hydroxypropan-2-yl)-2-[2-oxo-5-[3-(piperidin-4-ylmethyl)azetidin-1-yl]-1-pyridinyl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one
PubChem CID171082798
Molecular FormulaC38H43N5O5S
Molecular Weight681.86 g/mol
Exact Mass681.30
IUPAC Name4-[5-(2-hydroxypropan-2-yl)-2-[2-oxo-5-[3-(piperidin-4-ylmethyl)azetidin-1-yl]-1-pyridinyl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one
SMILESCc1ccc(S(=O)(=O)n2ccc3c(-c4cc(C(C)(C)O)ccc4-n4cc(N5CC(CC6CCNCC6)C5)ccc4=O)cn(C)c(=O)c32)cc1
InChIInChI=1S/C38H43N5O5S/c1-25-5-9-30(10-6-25)49(47,48)43-18-15-31-33(24-40(4)37(45)36(31)43)32-20-28(38(2,3)46)7-11-34(32)42-23-29(8-12-35(42)44)41-21-27(22-41)19-26-13-16-39-17-14-26/h5-12,15,18,20,23-24,26-27,39,46H,13-14,16-17,19,21-22H2,1-4H3
InChIKeyYCQIAVXOEZUBPQ-UHFFFAOYSA-N
XLogP4.76
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500681.86
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[5-(2-hydroxypropan-2-yl)-2-[2-oxo-5-[3-(piperidin-4-ylmethyl)azetidin-1-yl]-1-pyridinyl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one with MolForge

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Related Compounds

4-[5-(2-hydroxypropan-2-yl)-2-[(6-piperidin-4-yloxy-3-pyridinyl)oxy]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one
CID 171082693
4-[2-[2-fluoro-3-(3-piperazin-1-ylazetidin-1-yl)phenoxy]-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one
CID 171083259
4-[5-ethylsulfonyl-2-[5-(2-piperidin-4-ylethyl)pyrazin-2-yl]oxyphenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one
CID 171082673
7-ethylsulfanyl-3-methyl-6-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-1H-benzimidazol-2-one
CID 118093904
methyl 3-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-4-[3-(2-piperidin-4-yloxyethoxy)phenoxy]benzoate
CID 171083251
3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-6-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-7-phenoxy-1H-benzimidazol-2-one
CID 118093968
4-[2-(aminomethyl)-1-methyl-4-phenoxybenzimidazol-5-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one
CID 118093846
4-[2-cyclobutyloxy-5-[(4-methoxyphenyl)methoxy]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one
CID 155234551
tert-butyl 4-[5-cyclopropyl-5-[4-ethylsulfonyl-2-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]phenoxy]pentyl]piperazine-1-carboxylate
CID 171083245
4-(azocan-4-ylmethyl)-3-hydroxy-1-(4-methylphenyl)sulfonylpyridin-2-one
CID 69374204
tert-butyl 4-[2-[4-[4-(1,1-dioxothiolan-2-yl)-2-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]phenoxy]phenyl]ethyl]piperidine-1-carboxylate
CID 171082136
1-[3-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide
CID 175923260

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-hydroxypropan-2-yl)-2-[2-oxo-5-[3-(piperidin-4-ylmethyl)azetidin-1-yl]-1-pyridinyl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-[5-(2-hydroxypropan-2-yl)-2-[2-oxo-5-[3-(piperidin-4-ylmethyl)azetidin-1-yl]-1-pyridinyl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one (CID 171082798) is 4-[5-(2-hydroxypropan-2-yl)-2-[2-oxo-5-[3-(piperidin-4-ylmethyl)azetidin-1-yl]-1-pyridinyl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[5-(2-hydroxypropan-2-yl)-2-[2-oxo-5-[3-(piperidin-4-ylmethyl)azetidin-1-yl]-1-pyridinyl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[5-(2-hydroxypropan-2-yl)-2-[2-oxo-5-[3-(piperidin-4-ylmethyl)azetidin-1-yl]-1-pyridinyl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one is Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(C(C)(C)O)ccc4-n4cc(N5CC(CC6CCNCC6)C5)ccc4=O)cn(C)c(=O)c32)cc1.
What is the InChIKey of 4-[5-(2-hydroxypropan-2-yl)-2-[2-oxo-5-[3-(piperidin-4-ylmethyl)azetidin-1-yl]-1-pyridinyl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one?
The InChIKey is YCQIAVXOEZUBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43N5O5S/c1-25-5-9-30(10-6-25)49(47,48)43-18-15-31-33(24-40(4)37(45)36(31)43)32-20-28(38(2,3)46)7-11-34(32)42-23-29(8-12-35(42)44)41-21-27(22-41)19-26-13-16-39-17-14-26/h5-12,15,18,20,23-24,26-27,39,46H,13-14,16-17,19,21-22H2,1-4H3.
What are the key properties of 4-[5-(2-hydroxypropan-2-yl)-2-[2-oxo-5-[3-(piperidin-4-ylmethyl)azetidin-1-yl]-1-pyridinyl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one?
4-[5-(2-hydroxypropan-2-yl)-2-[2-oxo-5-[3-(piperidin-4-ylmethyl)azetidin-1-yl]-1-pyridinyl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one has a molecular weight of 681.86 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-hydroxypropan-2-yl)-2-[2-oxo-5-[3-(piperidin-4-ylmethyl)azetidin-1-yl]-1-pyridinyl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 171082798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).