3-(1-cyclobutylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-N,3-dimethyl-1H-imidazole-1,3-diium-1-carboxamide;N-(furan-2-ylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidine-1-carboxamide;iodide

C49H63IN11O8S2+ — CID 159167791

IUPAC3-(1-cyclobutylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-N,3-dimethyl-1H-imidazole-1,3-diium-1-carboxamide;N-(furan-2-ylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidine-1-carboxamide;iodide
SMILESCN(Cc1ccco1)C(=O)N1CC(S(=O)(=O)N2CCC(c3c[nH]c4ncccc34)CC2)C1.CN(Cc1ccco1)C(=O)[NH+]1C=C[N+](C)=C1.O=S(=O)(C1CCC1)N1CCC(c2c[nH]c3ncccc23)CC1.[I-]
InChIInChI=1S/C22H27N5O4S.C16H21N3O2S.C11H14N3O2.HI/c1-25(13-17-4-3-11-31-17)22(28)26-14-18(15-26)32(29,30)27-9-6-16(7-10-27)20-12-24-21-19(20)5-2-8-23-21;20-22(21,13-3-1-4-13)19-9-6-12(7-10-19)15-11-18-16-14(15)5-2-8-17-16;1-12-5-6-14(9-12)11(15)13(2)8-10-4-3-7-16-10;/h2-5,8,11-12,16,18H,6-7,9-10,13-15H2,1H3,(H,23,24);2,5,8,11-13H,1,3-4,6-7,9-10H2,(H,17,18);3-7,9H,8H2,1-2H3;1H/q;;+1;
InChIKeyYITKCKICYIWBCI-UHFFFAOYSA-N
MW1125.15 g/mol
LogP2.10
Rot. Bonds10

About 3-(1-cyclobutylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-N,3-dimethyl-1H-imidazole-1,3-diium-1-carboxamide;N-(furan-2-ylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidine-1-carboxamide;iodide

3-(1-cyclobutylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-N,3-dimethyl-1H-imidazole-1,3-diium-1-carboxamide;N-(furan-2-ylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidine-1-carboxamide;iodide (PubChem CID 159167791) has the molecular formula C49H63IN11O8S2+ and a molecular weight of 1125.15 g/mol. Its IUPAC name is 3-(1-cyclobutylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-N,3-dimethyl-1H-imidazole-1,3-diium-1-carboxamide;N-(furan-2-ylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidine-1-carboxamide;iodide.

Molecular Properties

Compound Name3-(1-cyclobutylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-N,3-dimethyl-1H-imidazole-1,3-diium-1-carboxamide;N-(furan-2-ylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidine-1-carboxamide;iodide
PubChem CID159167791
Molecular FormulaC49H63IN11O8S2+
Molecular Weight1125.15 g/mol
Exact Mass1124.33
IUPAC Name3-(1-cyclobutylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-N,3-dimethyl-1H-imidazole-1,3-diium-1-carboxamide;N-(furan-2-ylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidine-1-carboxamide;iodide
SMILESCN(Cc1ccco1)C(=O)N1CC(S(=O)(=O)N2CCC(c3c[nH]c4ncccc34)CC2)C1.CN(Cc1ccco1)C(=O)[NH+]1C=C[N+](C)=C1.O=S(=O)(C1CCC1)N1CCC(c2c[nH]c3ncccc23)CC1.[I-]
InChIInChI=1S/C22H27N5O4S.C16H21N3O2S.C11H14N3O2.HI/c1-25(13-17-4-3-11-31-17)22(28)26-14-18(15-26)32(29,30)27-9-6-16(7-10-27)20-12-24-21-19(20)5-2-8-23-21;20-22(21,13-3-1-4-13)19-9-6-12(7-10-19)15-11-18-16-14(15)5-2-8-17-16;1-12-5-6-14(9-12)11(15)13(2)8-10-4-3-7-16-10;/h2-5,8,11-12,16,18H,6-7,9-10,13-15H2,1H3,(H,23,24);2,5,8,11-13H,1,3-4,6-7,9-10H2,(H,17,18);3-7,9H,8H2,1-2H3;1H/q;;+1;
InChIKeyYITKCKICYIWBCI-UHFFFAOYSA-N
XLogP2.10
TPSA209.71 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001125.15
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-(1-cyclobutylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-N,3-dimethyl-1H-imidazole-1,3-diium-1-carboxamide;N-(furan-2-ylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidine-1-carboxamide;iodide with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidine-1-carboxamide
CID 134473438
morpholin-4-yl-[5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylfuran-2-yl]methanone
CID 137525345
3-[1-[1-(furan-2-ylmethyl)azetidin-3-yl]sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 146372945
N-(furan-2-ylmethyl)-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidine-1-carboxamide
CID 146373093
3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]furo[3,2-b]pyridine;4-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]pyridine;3-[1-(3-methylcyclobutyl)sulfonylpiperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 158255844
4-[3-cyclohexyl-5-(4-fluorophenyl)-2-iodoimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;N-[4-[5-(7H-cyclopenta[b]pyridin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexyl]ethenesulfonamide;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide
CID 158651221
N-(furan-2-ylmethyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 55835790
1-(furan-2-ylmethyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 56019371

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclobutylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-N,3-dimethyl-1H-imidazole-1,3-diium-1-carboxamide;N-(furan-2-ylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidine-1-carboxamide;iodide?
The IUPAC name of 3-(1-cyclobutylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-N,3-dimethyl-1H-imidazole-1,3-diium-1-carboxamide;N-(furan-2-ylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidine-1-carboxamide;iodide (CID 159167791) is 3-(1-cyclobutylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-N,3-dimethyl-1H-imidazole-1,3-diium-1-carboxamide;N-(furan-2-ylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidine-1-carboxamide;iodide.
What is the SMILES notation for 3-(1-cyclobutylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-N,3-dimethyl-1H-imidazole-1,3-diium-1-carboxamide;N-(furan-2-ylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidine-1-carboxamide;iodide?
The canonical SMILES for 3-(1-cyclobutylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-N,3-dimethyl-1H-imidazole-1,3-diium-1-carboxamide;N-(furan-2-ylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidine-1-carboxamide;iodide is CN(Cc1ccco1)C(=O)N1CC(S(=O)(=O)N2CCC(c3c[nH]c4ncccc34)CC2)C1.CN(Cc1ccco1)C(=O)[NH+]1C=C[N+](C)=C1.O=S(=O)(C1CCC1)N1CCC(c2c[nH]c3ncccc23)CC1.[I-].
What is the InChIKey of 3-(1-cyclobutylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-N,3-dimethyl-1H-imidazole-1,3-diium-1-carboxamide;N-(furan-2-ylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidine-1-carboxamide;iodide?
The InChIKey is YITKCKICYIWBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4S.C16H21N3O2S.C11H14N3O2.HI/c1-25(13-17-4-3-11-31-17)22(28)26-14-18(15-26)32(29,30)27-9-6-16(7-10-27)20-12-24-21-19(20)5-2-8-23-21;20-22(21,13-3-1-4-13)19-9-6-12(7-10-19)15-11-18-16-14(15)5-2-8-17-16;1-12-5-6-14(9-12)11(15)13(2)8-10-4-3-7-16-10;/h2-5,8,11-12,16,18H,6-7,9-10,13-15H2,1H3,(H,23,24);2,5,8,11-13H,1,3-4,6-7,9-10H2,(H,17,18);3-7,9H,8H2,1-2H3;1H/q;;+1;.
What are the key properties of 3-(1-cyclobutylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-N,3-dimethyl-1H-imidazole-1,3-diium-1-carboxamide;N-(furan-2-ylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidine-1-carboxamide;iodide?
3-(1-cyclobutylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-N,3-dimethyl-1H-imidazole-1,3-diium-1-carboxamide;N-(furan-2-ylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidine-1-carboxamide;iodide has a molecular weight of 1125.15 g/mol, XLogP of 2.10, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclobutylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;N-(furan-2-ylmethyl)-N,3-dimethyl-1H-imidazole-1,3-diium-1-carboxamide;N-(furan-2-ylmethyl)-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidine-1-carboxamide;iodide is sourced from PubChem (CID 159167791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).