potassium;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide

C73H85KN10O9S — CID 163625714

IUPACpotassium;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide
SMILESC[C@@H]1C(=O)N(C)CCN1CCOc1ccc(C2CCN(c3ccc(-c4cn(C)c(=O)c5[nH]ccc45)cc3)CC2)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc(N5CCC(c6ccc(OCCN7CCN(C)C(=O)[C@H]7C)cc6)CC5)cc4)cn(C)c(=O)c32)cc1.[K+].[OH-]
InChIInChI=1S/C40H45N5O5S.C33H39N5O3.K.H2O/c1-28-5-15-35(16-6-28)51(48,49)45-22-19-36-37(27-42(4)40(47)38(36)45)32-7-11-33(12-8-32)44-20-17-31(18-21-44)30-9-13-34(14-10-30)50-26-25-43-24-23-41(3)39(46)29(43)2;1-23-32(39)35(2)18-19-37(23)20-21-41-28-10-6-24(7-11-28)25-13-16-38(17-14-25)27-8-4-26(5-9-27)30-22-36(3)33(40)31-29(30)12-15-34-31;;/h5-16,19,22,27,29,31H,17-18,20-21,23-26H2,1-4H3;4-12,15,22-23,25,34H,13-14,16-21H2,1-3H3;;1H2/q;;+1;/p-1/t29-;23-;;/m11../s1
InChIKeyHRVILZWBYVNLCE-AEEHWNFTSA-M
MW1317.71 g/mol
LogP6.76
Rot. Bonds16

About potassium;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide

potassium;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide (PubChem CID 163625714) has the molecular formula C73H85KN10O9S and a molecular weight of 1317.71 g/mol. Its IUPAC name is potassium;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide.

Molecular Properties

Compound Namepotassium;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide
PubChem CID163625714
Molecular FormulaC73H85KN10O9S
Molecular Weight1317.71 g/mol
Exact Mass1316.59
IUPAC Namepotassium;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide
SMILESC[C@@H]1C(=O)N(C)CCN1CCOc1ccc(C2CCN(c3ccc(-c4cn(C)c(=O)c5[nH]ccc45)cc3)CC2)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc(N5CCC(c6ccc(OCCN7CCN(C)C(=O)[C@H]7C)cc6)CC5)cc4)cn(C)c(=O)c32)cc1.[K+].[OH-]
InChIInChI=1S/C40H45N5O5S.C33H39N5O3.K.H2O/c1-28-5-15-35(16-6-28)51(48,49)45-22-19-36-37(27-42(4)40(47)38(36)45)32-7-11-33(12-8-32)44-20-17-31(18-21-44)30-9-13-34(14-10-30)50-26-25-43-24-23-41(3)39(46)29(43)2;1-23-32(39)35(2)18-19-37(23)20-21-41-28-10-6-24(7-11-28)25-13-16-38(17-14-25)27-8-4-26(5-9-27)30-22-36(3)33(40)31-29(30)12-15-34-31;;/h5-16,19,22,27,29,31H,17-18,20-21,23-26H2,1-4H3;4-12,15,22-23,25,34H,13-14,16-21H2,1-3H3;;1H2/q;;+1;/p-1/t29-;23-;;/m11../s1
InChIKeyHRVILZWBYVNLCE-AEEHWNFTSA-M
XLogP6.76
TPSA200.90 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001317.71
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze potassium;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide?
The IUPAC name of potassium;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide (CID 163625714) is potassium;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide.
What is the SMILES notation for potassium;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide?
The canonical SMILES for potassium;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide is C[C@@H]1C(=O)N(C)CCN1CCOc1ccc(C2CCN(c3ccc(-c4cn(C)c(=O)c5[nH]ccc45)cc3)CC2)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc(N5CCC(c6ccc(OCCN7CCN(C)C(=O)[C@H]7C)cc6)CC5)cc4)cn(C)c(=O)c32)cc1.[K+].[OH-].
What is the InChIKey of potassium;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide?
The InChIKey is HRVILZWBYVNLCE-AEEHWNFTSA-M. The full InChI is InChI=1S/C40H45N5O5S.C33H39N5O3.K.H2O/c1-28-5-15-35(16-6-28)51(48,49)45-22-19-36-37(27-42(4)40(47)38(36)45)32-7-11-33(12-8-32)44-20-17-31(18-21-44)30-9-13-34(14-10-30)50-26-25-43-24-23-41(3)39(46)29(43)2;1-23-32(39)35(2)18-19-37(23)20-21-41-28-10-6-24(7-11-28)25-13-16-38(17-14-25)27-8-4-26(5-9-27)30-22-36(3)33(40)31-29(30)12-15-34-31;;/h5-16,19,22,27,29,31H,17-18,20-21,23-26H2,1-4H3;4-12,15,22-23,25,34H,13-14,16-21H2,1-3H3;;1H2/q;;+1;/p-1/t29-;23-;;/m11../s1.
What are the key properties of potassium;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide?
potassium;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide has a molecular weight of 1317.71 g/mol, XLogP of 6.76, 16 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[4-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;hydroxide is sourced from PubChem (CID 163625714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).