4-[6-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;2-hydroxyacetic acid;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

C83H95N15O14S2 — CID 163820882

IUPAC4-[6-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;2-hydroxyacetic acid;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1ccc(S(=O)(=O)n2ccc3c(-c4ccc(N5CCC6(CCN(C(=O)CO)C6)CC5)nc4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc(N5CCC6(CCNC6)CC5)nc4)cn(C)c(=O)c32)cc1.Cn1cc(-c2ccc(N3CCC4(CCN(C(=O)CO)C4)CC3)nc2)c2cc[nH]c2c1=O.O=C(O)CO
InChIInChI=1S/C30H33N5O5S.C28H31N5O3S.C23H27N5O3.C2H4O3/c1-21-3-6-23(7-4-21)41(39,40)35-13-9-24-25(18-32(2)29(38)28(24)35)22-5-8-26(31-17-22)33-14-10-30(11-15-33)12-16-34(20-30)27(37)19-36;1-20-3-6-22(7-4-20)37(35,36)33-14-9-23-24(18-31(2)27(34)26(23)33)21-5-8-25(30-17-21)32-15-11-28(12-16-32)10-13-29-19-28;1-26-13-18(17-4-8-24-21(17)22(26)31)16-2-3-19(25-12-16)27-9-5-23(6-10-27)7-11-28(15-23)20(30)14-29;3-1-2(4)5/h3-9,13,17-18,36H,10-12,14-16,19-20H2,1-2H3;3-9,14,17-18,29H,10-13,15-16,19H2,1-2H3;2-4,8,12-13,24,29H,5-7,9-11,14-15H2,1H3;3H,1H2,(H,4,5)
InChIKeyNVHOTBFUZNVDJH-UHFFFAOYSA-N
MW1590.90 g/mol
LogP7.09
Rot. Bonds13

About 4-[6-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;2-hydroxyacetic acid;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

4-[6-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;2-hydroxyacetic acid;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 163820882) has the molecular formula C83H95N15O14S2 and a molecular weight of 1590.90 g/mol. Its IUPAC name is 4-[6-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;2-hydroxyacetic acid;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[6-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;2-hydroxyacetic acid;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID163820882
Molecular FormulaC83H95N15O14S2
Molecular Weight1590.90 g/mol
Exact Mass1589.66
IUPAC Name4-[6-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;2-hydroxyacetic acid;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1ccc(S(=O)(=O)n2ccc3c(-c4ccc(N5CCC6(CCN(C(=O)CO)C6)CC5)nc4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc(N5CCC6(CCNC6)CC5)nc4)cn(C)c(=O)c32)cc1.Cn1cc(-c2ccc(N3CCC4(CCN(C(=O)CO)C4)CC3)nc2)c2cc[nH]c2c1=O.O=C(O)CO
InChIInChI=1S/C30H33N5O5S.C28H31N5O3S.C23H27N5O3.C2H4O3/c1-21-3-6-23(7-4-21)41(39,40)35-13-9-24-25(18-32(2)29(38)28(24)35)22-5-8-26(31-17-22)33-14-10-30(11-15-33)12-16-34(20-30)27(37)19-36;1-20-3-6-22(7-4-20)37(35,36)33-14-9-23-24(18-31(2)27(34)26(23)33)21-5-8-25(30-17-21)32-15-11-28(12-16-32)10-13-29-19-28;1-26-13-18(17-4-8-24-21(17)22(26)31)16-2-3-19(25-12-16)27-9-5-23(6-10-27)7-11-28(15-23)20(30)14-29;3-1-2(4)5/h3-9,13,17-18,36H,10-12,14-16,19-20H2,1-2H3;3-9,14,17-18,29H,10-13,15-16,19H2,1-2H3;2-4,8,12-13,24,29H,5-7,9-11,14-15H2,1H3;3H,1H2,(H,4,5)
InChIKeyNVHOTBFUZNVDJH-UHFFFAOYSA-N
XLogP7.09
TPSA358.96 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds13
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001590.90
LogP ≤ 57.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze 4-[6-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;2-hydroxyacetic acid;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 157089740
CID 157089740
1-bromo-4-fluorobenzene;tert-butyl 8-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate;tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate;tert-butyl 8-[5-[6-methyl-1-(4-methylphenyl)sulfonyl-7-oxopyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]-2,8-diazaspiro[4.5]decane-2-carboxylate;4-[6-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one
CID 163575264
potassium;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;methane;hydroxide
CID 163618436
potassium;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;2-hydroxyacetic acid;4-[6-[3-(2-hydroxyacetyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[3-(2-hydroxyacetyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;methane;hydroxide
CID 163749344
4-[6-(2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;tert-butyl 8-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;ditert-butyl 2,8-diazaspiro[4.5]decane-2,8-dicarboxylate;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one;hydrochloride
CID 163818950
5-Bromo-2-fluoropyridine;2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane;1-[2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-hydroxyethanone;tert-butyl 2-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate;2-hydroxyacetic acid;4-[6-[8-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one
CID 163821828

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;2-hydroxyacetic acid;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-[6-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;2-hydroxyacetic acid;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 163820882) is 4-[6-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;2-hydroxyacetic acid;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[6-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;2-hydroxyacetic acid;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[6-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;2-hydroxyacetic acid;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc(N5CCC6(CCN(C(=O)CO)C6)CC5)nc4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc(N5CCC6(CCNC6)CC5)nc4)cn(C)c(=O)c32)cc1.Cn1cc(-c2ccc(N3CCC4(CCN(C(=O)CO)C4)CC3)nc2)c2cc[nH]c2c1=O.O=C(O)CO.
What is the InChIKey of 4-[6-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;2-hydroxyacetic acid;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is NVHOTBFUZNVDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O5S.C28H31N5O3S.C23H27N5O3.C2H4O3/c1-21-3-6-23(7-4-21)41(39,40)35-13-9-24-25(18-32(2)29(38)28(24)35)22-5-8-26(31-17-22)33-14-10-30(11-15-33)12-16-34(20-30)27(37)19-36;1-20-3-6-22(7-4-20)37(35,36)33-14-9-23-24(18-31(2)27(34)26(23)33)21-5-8-25(30-17-21)32-15-11-28(12-16-32)10-13-29-19-28;1-26-13-18(17-4-8-24-21(17)22(26)31)16-2-3-19(25-12-16)27-9-5-23(6-10-27)7-11-28(15-23)20(30)14-29;3-1-2(4)5/h3-9,13,17-18,36H,10-12,14-16,19-20H2,1-2H3;3-9,14,17-18,29H,10-13,15-16,19H2,1-2H3;2-4,8,12-13,24,29H,5-7,9-11,14-15H2,1H3;3H,1H2,(H,4,5).
What are the key properties of 4-[6-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;2-hydroxyacetic acid;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
4-[6-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;2-hydroxyacetic acid;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 1590.90 g/mol, XLogP of 7.09, 13 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,8-diazaspiro[4.5]decan-8-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;2-hydroxyacetic acid;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[2-(2-hydroxyacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 163820882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).