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

C17H18FN5O4S — CID 171395558

IUPAC2-[(3-fluoro-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(F)c2c1
InChIInChI=1S/C17H18FN5O4S/c1-10-6-12-16(20-21-17(12)18)13(7-10)28(26,27)23(3)9-14(24)19-11-4-5-22(2)15(25)8-11/h4-8H,9H2,1-3H3,(H,19,24)(H,20,21)
InChIKeyBXJHUHBIHRTPOQ-UHFFFAOYSA-N
MW407.43 g/mol
LogP0.97
Rot. Bonds5

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

2-[(3-fluoro-5-methyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide (PubChem CID 171395558) has the molecular formula C17H18FN5O4S and a molecular weight of 407.43 g/mol. Its IUPAC name is 2-[(3-fluoro-5-methyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(3-fluoro-5-methyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
PubChem CID171395558
Molecular FormulaC17H18FN5O4S
Molecular Weight407.43 g/mol
Exact Mass407.11
IUPAC Name2-[(3-fluoro-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(F)c2c1
InChIInChI=1S/C17H18FN5O4S/c1-10-6-12-16(20-21-17(12)18)13(7-10)28(26,27)23(3)9-14(24)19-11-4-5-22(2)15(25)8-11/h4-8H,9H2,1-3H3,(H,19,24)(H,20,21)
InChIKeyBXJHUHBIHRTPOQ-UHFFFAOYSA-N
XLogP0.97
TPSA117.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-5-methyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The IUPAC name of 2-[(3-fluoro-5-methyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide (CID 171395558) is 2-[(3-fluoro-5-methyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide.
What is the SMILES notation for 2-[(3-fluoro-5-methyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The canonical SMILES for 2-[(3-fluoro-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(F)c2c1.
What is the InChIKey of 2-[(3-fluoro-5-methyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The InChIKey is BXJHUHBIHRTPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O4S/c1-10-6-12-16(20-21-17(12)18)13(7-10)28(26,27)23(3)9-14(24)19-11-4-5-22(2)15(25)8-11/h4-8H,9H2,1-3H3,(H,19,24)(H,20,21).
What are the key properties of 2-[(3-fluoro-5-methyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
2-[(3-fluoro-5-methyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide has a molecular weight of 407.43 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-5-methyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide is sourced from PubChem (CID 171395558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).