5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrazolo[3,4-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-pyrrolo[3,4-b]pyridine

C43H33Cl2F6IN10O7S2 — CID 161163342

IUPAC5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrazolo[3,4-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-pyrrolo[3,4-b]pyridine
SMILESCON(C)C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc3[nH]ncc23)cc1C(F)(F)F.Ic1ccnc2c1C=NC2
InChIInChI=1S/C20H13ClF3N5O3S.C16H15ClF3N3O4S.C7H5IN2/c1-10-2-3-12(7-15(10)20(22,23)24)33(31,32)29-16-6-11(21)8-26-17(16)18(30)13-4-5-25-19-14(13)9-27-28-19;1-9-4-5-11(7-12(9)16(18,19)20)28(25,26)22-13-6-10(17)8-21-14(13)15(24)23(2)27-3;8-6-1-2-10-7-4-9-3-5(6)7/h2-9,29H,1H3,(H,25,27,28);4-8,22H,1-3H3;1-3H,4H2
InChIKeyUQFBOTPJMFDIIZ-UHFFFAOYSA-N
MW1177.73 g/mol
LogP9.48
Rot. Bonds10

About 5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrazolo[3,4-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-pyrrolo[3,4-b]pyridine

5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrazolo[3,4-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-pyrrolo[3,4-b]pyridine (PubChem CID 161163342) has the molecular formula C43H33Cl2F6IN10O7S2 and a molecular weight of 1177.73 g/mol. Its IUPAC name is 5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrazolo[3,4-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-pyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrazolo[3,4-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-pyrrolo[3,4-b]pyridine
PubChem CID161163342
Molecular FormulaC43H33Cl2F6IN10O7S2
Molecular Weight1177.73 g/mol
Exact Mass1176.03
IUPAC Name5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrazolo[3,4-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-pyrrolo[3,4-b]pyridine
SMILESCON(C)C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc3[nH]ncc23)cc1C(F)(F)F.Ic1ccnc2c1C=NC2
InChIInChI=1S/C20H13ClF3N5O3S.C16H15ClF3N3O4S.C7H5IN2/c1-10-2-3-12(7-15(10)20(22,23)24)33(31,32)29-16-6-11(21)8-26-17(16)18(30)13-4-5-25-19-14(13)9-27-28-19;1-9-4-5-11(7-12(9)16(18,19)20)28(25,26)22-13-6-10(17)8-21-14(13)15(24)23(2)27-3;8-6-1-2-10-7-4-9-3-5(6)7/h2-9,29H,1H3,(H,25,27,28);4-8,22H,1-3H3;1-3H,4H2
InChIKeyUQFBOTPJMFDIIZ-UHFFFAOYSA-N
XLogP9.48
TPSA231.55 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001177.73
LogP ≤ 59.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrazolo[3,4-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-pyrrolo[3,4-b]pyridine?
The IUPAC name of 5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrazolo[3,4-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-pyrrolo[3,4-b]pyridine (CID 161163342) is 5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrazolo[3,4-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-pyrrolo[3,4-b]pyridine.
What is the SMILES notation for 5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrazolo[3,4-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-pyrrolo[3,4-b]pyridine?
The canonical SMILES for 5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrazolo[3,4-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-pyrrolo[3,4-b]pyridine is CON(C)C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc3[nH]ncc23)cc1C(F)(F)F.Ic1ccnc2c1C=NC2.
What is the InChIKey of 5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrazolo[3,4-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-pyrrolo[3,4-b]pyridine?
The InChIKey is UQFBOTPJMFDIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N5O3S.C16H15ClF3N3O4S.C7H5IN2/c1-10-2-3-12(7-15(10)20(22,23)24)33(31,32)29-16-6-11(21)8-26-17(16)18(30)13-4-5-25-19-14(13)9-27-28-19;1-9-4-5-11(7-12(9)16(18,19)20)28(25,26)22-13-6-10(17)8-21-14(13)15(24)23(2)27-3;8-6-1-2-10-7-4-9-3-5(6)7/h2-9,29H,1H3,(H,25,27,28);4-8,22H,1-3H3;1-3H,4H2.
What are the key properties of 5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrazolo[3,4-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-pyrrolo[3,4-b]pyridine?
5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrazolo[3,4-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-pyrrolo[3,4-b]pyridine has a molecular weight of 1177.73 g/mol, XLogP of 9.48, 10 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methoxy-N-methyl-3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;N-[5-chloro-2-(1H-pyrazolo[3,4-b]pyridine-4-carbonyl)-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;4-iodo-7H-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 161163342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).