2-[(3-formyl-5-methyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide

C18H19N5O5S — CID 164573466

IUPAC2-[(3-formyl-5-methyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
SMILESCc1cc(S(=O)(=O)N(C)CC(=O)Nc2ccn(C)c(=O)c2)c2n[nH]c(C=O)c2c1
InChIInChI=1S/C18H19N5O5S/c1-11-6-13-14(10-24)20-21-18(13)15(7-11)29(27,28)23(3)9-16(25)19-12-4-5-22(2)17(26)8-12/h4-8,10H,9H2,1-3H3,(H,19,25)(H,20,21)
InChIKeyTUDPZOHDEFXTLL-UHFFFAOYSA-N
MW417.45 g/mol
LogP0.64
Rot. Bonds6

About 2-[(3-formyl-5-methyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide

2-[(3-formyl-5-methyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide (PubChem CID 164573466) has the molecular formula C18H19N5O5S and a molecular weight of 417.45 g/mol. Its IUPAC name is 2-[(3-formyl-5-methyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(3-formyl-5-methyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
PubChem CID164573466
Molecular FormulaC18H19N5O5S
Molecular Weight417.45 g/mol
Exact Mass417.11
IUPAC Name2-[(3-formyl-5-methyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
SMILESCc1cc(S(=O)(=O)N(C)CC(=O)Nc2ccn(C)c(=O)c2)c2n[nH]c(C=O)c2c1
InChIInChI=1S/C18H19N5O5S/c1-11-6-13-14(10-24)20-21-18(13)15(7-11)29(27,28)23(3)9-16(25)19-12-4-5-22(2)17(26)8-12/h4-8,10H,9H2,1-3H3,(H,19,25)(H,20,21)
InChIKeyTUDPZOHDEFXTLL-UHFFFAOYSA-N
XLogP0.64
TPSA134.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.45
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-formyl-5-methyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The IUPAC name of 2-[(3-formyl-5-methyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide (CID 164573466) is 2-[(3-formyl-5-methyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide.
What is the SMILES notation for 2-[(3-formyl-5-methyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The canonical SMILES for 2-[(3-formyl-5-methyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide is Cc1cc(S(=O)(=O)N(C)CC(=O)Nc2ccn(C)c(=O)c2)c2n[nH]c(C=O)c2c1.
What is the InChIKey of 2-[(3-formyl-5-methyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The InChIKey is TUDPZOHDEFXTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O5S/c1-11-6-13-14(10-24)20-21-18(13)15(7-11)29(27,28)23(3)9-16(25)19-12-4-5-22(2)17(26)8-12/h4-8,10H,9H2,1-3H3,(H,19,25)(H,20,21).
What are the key properties of 2-[(3-formyl-5-methyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
2-[(3-formyl-5-methyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide has a molecular weight of 417.45 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-formyl-5-methyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide is sourced from PubChem (CID 164573466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).