2-anilino-N-benzyl-N-[1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-yl]acetamide;2-anilino-N-benzyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;7-(4-methylphenyl)sulfonyl-4-[3-(2-phenylethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine;1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-one;phenylmethanamine;3-phenylpropanoic acid;piperidin-3-one

C137H146ClN25O14S4 — CID 158193792

IUPAC2-anilino-N-benzyl-N-[1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-yl]acetamide;2-anilino-N-benzyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;7-(4-methylphenyl)sulfonyl-4-[3-(2-phenylethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine;1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-one;phenylmethanamine;3-phenylpropanoic acid;piperidin-3-one
SMILESCc1ccc(S(=O)(=O)n2ccc3c(Cl)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N4CCCC(=O)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N4CCCC(CCc5ccccc5)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N4CCCC(N(Cc5ccccc5)C(=O)CNc5ccccc5)C4)ncnc32)cc1.NCc1ccccc1.O=C(CNc1ccccc1)N(Cc1ccccc1)C1CCCN(c2ncnc3[nH]ccc23)C1.O=C(O)CCc1ccccc1.O=C1CCCNC1
InChIInChI=1S/C33H34N6O3S.C26H28N6O.C26H28N4O2S.C18H18N4O3S.C13H10ClN3O2S.C9H10O2.C7H9N.C5H9NO/c1-25-14-16-29(17-15-25)43(41,42)39-20-18-30-32(35-24-36-33(30)39)37-19-8-13-28(23-37)38(22-26-9-4-2-5-10-26)31(40)21-34-27-11-6-3-7-12-27;33-24(16-28-21-10-5-2-6-11-21)32(17-20-8-3-1-4-9-20)22-12-7-15-31(18-22)26-23-13-14-27-25(23)29-19-30-26;1-20-9-13-23(14-10-20)33(31,32)30-17-15-24-25(27-19-28-26(24)30)29-16-5-8-22(18-29)12-11-21-6-3-2-4-7-21;1-13-4-6-15(7-5-13)26(24,25)22-10-8-16-17(19-12-20-18(16)22)21-9-2-3-14(23)11-21;1-9-2-4-10(5-3-9)20(18,19)17-7-6-11-12(14)15-8-16-13(11)17;10-9(11)7-6-8-4-2-1-3-5-8;8-6-7-4-2-1-3-5-7;7-5-2-1-3-6-4-5/h2-7,9-12,14-18,20,24,28,34H,8,13,19,21-23H2,1H3;1-6,8-11,13-14,19,22,28H,7,12,15-18H2,(H,27,29,30);2-4,6-7,9-10,13-15,17,19,22H,5,8,11-12,16,18H2,1H3;4-8,10,12H,2-3,9,11H2,1H3;2-8H,1H3;1-5H,6-7H2,(H,10,11);1-5H,6,8H2;6H,1-4H2
InChIKeyGABZFWAZBVEBDM-UHFFFAOYSA-N
MW2530.56 g/mol
LogP21.54
Rot. Bonds31

About 2-anilino-N-benzyl-N-[1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-yl]acetamide;2-anilino-N-benzyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;7-(4-methylphenyl)sulfonyl-4-[3-(2-phenylethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine;1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-one;phenylmethanamine;3-phenylpropanoic acid;piperidin-3-one

2-anilino-N-benzyl-N-[1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-yl]acetamide;2-anilino-N-benzyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;7-(4-methylphenyl)sulfonyl-4-[3-(2-phenylethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine;1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-one;phenylmethanamine;3-phenylpropanoic acid;piperidin-3-one (PubChem CID 158193792) has the molecular formula C137H146ClN25O14S4 and a molecular weight of 2530.56 g/mol. Its IUPAC name is 2-anilino-N-benzyl-N-[1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-yl]acetamide;2-anilino-N-benzyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;7-(4-methylphenyl)sulfonyl-4-[3-(2-phenylethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine;1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-one;phenylmethanamine;3-phenylpropanoic acid;piperidin-3-one.

Molecular Properties

Compound Name2-anilino-N-benzyl-N-[1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-yl]acetamide;2-anilino-N-benzyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;7-(4-methylphenyl)sulfonyl-4-[3-(2-phenylethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine;1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-one;phenylmethanamine;3-phenylpropanoic acid;piperidin-3-one
PubChem CID158193792
Molecular FormulaC137H146ClN25O14S4
Molecular Weight2530.56 g/mol
Exact Mass2528.01
IUPAC Name2-anilino-N-benzyl-N-[1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-yl]acetamide;2-anilino-N-benzyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;7-(4-methylphenyl)sulfonyl-4-[3-(2-phenylethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine;1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-one;phenylmethanamine;3-phenylpropanoic acid;piperidin-3-one
SMILESCc1ccc(S(=O)(=O)n2ccc3c(Cl)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N4CCCC(=O)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N4CCCC(CCc5ccccc5)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N4CCCC(N(Cc5ccccc5)C(=O)CNc5ccccc5)C4)ncnc32)cc1.NCc1ccccc1.O=C(CNc1ccccc1)N(Cc1ccccc1)C1CCCN(c2ncnc3[nH]ccc23)C1.O=C(O)CCc1ccccc1.O=C1CCCNC1
InChIInChI=1S/C33H34N6O3S.C26H28N6O.C26H28N4O2S.C18H18N4O3S.C13H10ClN3O2S.C9H10O2.C7H9N.C5H9NO/c1-25-14-16-29(17-15-25)43(41,42)39-20-18-30-32(35-24-36-33(30)39)37-19-8-13-28(23-37)38(22-26-9-4-2-5-10-26)31(40)21-34-27-11-6-3-7-12-27;33-24(16-28-21-10-5-2-6-11-21)32(17-20-8-3-1-4-9-20)22-12-7-15-31(18-22)26-23-13-14-27-25(23)29-19-30-26;1-20-9-13-23(14-10-20)33(31,32)30-17-15-24-25(27-19-28-26(24)30)29-16-5-8-22(18-29)12-11-21-6-3-2-4-7-21;1-13-4-6-15(7-5-13)26(24,25)22-10-8-16-17(19-12-20-18(16)22)21-9-2-3-14(23)11-21;1-9-2-4-10(5-3-9)20(18,19)17-7-6-11-12(14)15-8-16-13(11)17;10-9(11)7-6-8-4-2-1-3-5-8;8-6-7-4-2-1-3-5-7;7-5-2-1-3-6-4-5/h2-7,9-12,14-18,20,24,28,34H,8,13,19,21-23H2,1H3;1-6,8-11,13-14,19,22,28H,7,12,15-18H2,(H,27,29,30);2-4,6-7,9-10,13-15,17,19,22H,5,8,11-12,16,18H2,1H3;4-8,10,12H,2-3,9,11H2,1H3;2-8H,1H3;1-5H,6-7H2,(H,10,11);1-5H,6,8H2;6H,1-4H2
InChIKeyGABZFWAZBVEBDM-UHFFFAOYSA-N
XLogP21.54
TPSA488.10 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds31
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002530.56
LogP ≤ 521.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Analyze 2-anilino-N-benzyl-N-[1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-yl]acetamide;2-anilino-N-benzyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;7-(4-methylphenyl)sulfonyl-4-[3-(2-phenylethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine;1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-one;phenylmethanamine;3-phenylpropanoic acid;piperidin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-benzyl-N-[1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-yl]acetamide;2-anilino-N-benzyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;7-(4-methylphenyl)sulfonyl-4-[3-(2-phenylethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine;1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-one;phenylmethanamine;3-phenylpropanoic acid;piperidin-3-one?
The IUPAC name of 2-anilino-N-benzyl-N-[1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-yl]acetamide;2-anilino-N-benzyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;7-(4-methylphenyl)sulfonyl-4-[3-(2-phenylethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine;1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-one;phenylmethanamine;3-phenylpropanoic acid;piperidin-3-one (CID 158193792) is 2-anilino-N-benzyl-N-[1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-yl]acetamide;2-anilino-N-benzyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;7-(4-methylphenyl)sulfonyl-4-[3-(2-phenylethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine;1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-one;phenylmethanamine;3-phenylpropanoic acid;piperidin-3-one.
What is the SMILES notation for 2-anilino-N-benzyl-N-[1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-yl]acetamide;2-anilino-N-benzyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;7-(4-methylphenyl)sulfonyl-4-[3-(2-phenylethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine;1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-one;phenylmethanamine;3-phenylpropanoic acid;piperidin-3-one?
The canonical SMILES for 2-anilino-N-benzyl-N-[1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-yl]acetamide;2-anilino-N-benzyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;7-(4-methylphenyl)sulfonyl-4-[3-(2-phenylethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine;1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-one;phenylmethanamine;3-phenylpropanoic acid;piperidin-3-one is Cc1ccc(S(=O)(=O)n2ccc3c(Cl)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N4CCCC(=O)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N4CCCC(CCc5ccccc5)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N4CCCC(N(Cc5ccccc5)C(=O)CNc5ccccc5)C4)ncnc32)cc1.NCc1ccccc1.O=C(CNc1ccccc1)N(Cc1ccccc1)C1CCCN(c2ncnc3[nH]ccc23)C1.O=C(O)CCc1ccccc1.O=C1CCCNC1.
What is the InChIKey of 2-anilino-N-benzyl-N-[1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-yl]acetamide;2-anilino-N-benzyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;7-(4-methylphenyl)sulfonyl-4-[3-(2-phenylethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine;1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-one;phenylmethanamine;3-phenylpropanoic acid;piperidin-3-one?
The InChIKey is GABZFWAZBVEBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N6O3S.C26H28N6O.C26H28N4O2S.C18H18N4O3S.C13H10ClN3O2S.C9H10O2.C7H9N.C5H9NO/c1-25-14-16-29(17-15-25)43(41,42)39-20-18-30-32(35-24-36-33(30)39)37-19-8-13-28(23-37)38(22-26-9-4-2-5-10-26)31(40)21-34-27-11-6-3-7-12-27;33-24(16-28-21-10-5-2-6-11-21)32(17-20-8-3-1-4-9-20)22-12-7-15-31(18-22)26-23-13-14-27-25(23)29-19-30-26;1-20-9-13-23(14-10-20)33(31,32)30-17-15-24-25(27-19-28-26(24)30)29-16-5-8-22(18-29)12-11-21-6-3-2-4-7-21;1-13-4-6-15(7-5-13)26(24,25)22-10-8-16-17(19-12-20-18(16)22)21-9-2-3-14(23)11-21;1-9-2-4-10(5-3-9)20(18,19)17-7-6-11-12(14)15-8-16-13(11)17;10-9(11)7-6-8-4-2-1-3-5-8;8-6-7-4-2-1-3-5-7;7-5-2-1-3-6-4-5/h2-7,9-12,14-18,20,24,28,34H,8,13,19,21-23H2,1H3;1-6,8-11,13-14,19,22,28H,7,12,15-18H2,(H,27,29,30);2-4,6-7,9-10,13-15,17,19,22H,5,8,11-12,16,18H2,1H3;4-8,10,12H,2-3,9,11H2,1H3;2-8H,1H3;1-5H,6-7H2,(H,10,11);1-5H,6,8H2;6H,1-4H2.
What are the key properties of 2-anilino-N-benzyl-N-[1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-yl]acetamide;2-anilino-N-benzyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;7-(4-methylphenyl)sulfonyl-4-[3-(2-phenylethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine;1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-one;phenylmethanamine;3-phenylpropanoic acid;piperidin-3-one?
2-anilino-N-benzyl-N-[1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-yl]acetamide;2-anilino-N-benzyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;7-(4-methylphenyl)sulfonyl-4-[3-(2-phenylethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine;1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-one;phenylmethanamine;3-phenylpropanoic acid;piperidin-3-one has a molecular weight of 2530.56 g/mol, XLogP of 21.54, 31 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-benzyl-N-[1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-yl]acetamide;2-anilino-N-benzyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;7-(4-methylphenyl)sulfonyl-4-[3-(2-phenylethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine;1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-one;phenylmethanamine;3-phenylpropanoic acid;piperidin-3-one is sourced from PubChem (CID 158193792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).