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

C19H24N6O4S — CID 164573703

IUPAC2-[methyl-[[5-methyl-3-(methylaminomethyl)-2H-indazol-7-yl]sulfonyl]amino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
SMILESCNCc1[nH]nc2c(S(=O)(=O)N(C)CC(=O)Nc3ccn(C)c(=O)c3)cc(C)cc12
InChIInChI=1S/C19H24N6O4S/c1-12-7-14-15(10-20-2)22-23-19(14)16(8-12)30(28,29)25(4)11-17(26)21-13-5-6-24(3)18(27)9-13/h5-9,20H,10-11H2,1-4H3,(H,21,26)(H,22,23)
InChIKeyXMBBPSHDNBOKSU-UHFFFAOYSA-N
MW432.51 g/mol
LogP0.55
Rot. Bonds7

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

2-[methyl-[[5-methyl-3-(methylaminomethyl)-2H-indazol-7-yl]sulfonyl]amino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide (PubChem CID 164573703) has the molecular formula C19H24N6O4S and a molecular weight of 432.51 g/mol. Its IUPAC name is 2-[methyl-[[5-methyl-3-(methylaminomethyl)-2H-indazol-7-yl]sulfonyl]amino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[[5-methyl-3-(methylaminomethyl)-2H-indazol-7-yl]sulfonyl]amino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
PubChem CID164573703
Molecular FormulaC19H24N6O4S
Molecular Weight432.51 g/mol
Exact Mass432.16
IUPAC Name2-[methyl-[[5-methyl-3-(methylaminomethyl)-2H-indazol-7-yl]sulfonyl]amino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
SMILESCNCc1[nH]nc2c(S(=O)(=O)N(C)CC(=O)Nc3ccn(C)c(=O)c3)cc(C)cc12
InChIInChI=1S/C19H24N6O4S/c1-12-7-14-15(10-20-2)22-23-19(14)16(8-12)30(28,29)25(4)11-17(26)21-13-5-6-24(3)18(27)9-13/h5-9,20H,10-11H2,1-4H3,(H,21,26)(H,22,23)
InChIKeyXMBBPSHDNBOKSU-UHFFFAOYSA-N
XLogP0.55
TPSA129.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[5-methyl-3-(methylaminomethyl)-2H-indazol-7-yl]sulfonyl]amino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The IUPAC name of 2-[methyl-[[5-methyl-3-(methylaminomethyl)-2H-indazol-7-yl]sulfonyl]amino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide (CID 164573703) is 2-[methyl-[[5-methyl-3-(methylaminomethyl)-2H-indazol-7-yl]sulfonyl]amino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide.
What is the SMILES notation for 2-[methyl-[[5-methyl-3-(methylaminomethyl)-2H-indazol-7-yl]sulfonyl]amino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The canonical SMILES for 2-[methyl-[[5-methyl-3-(methylaminomethyl)-2H-indazol-7-yl]sulfonyl]amino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide is CNCc1[nH]nc2c(S(=O)(=O)N(C)CC(=O)Nc3ccn(C)c(=O)c3)cc(C)cc12.
What is the InChIKey of 2-[methyl-[[5-methyl-3-(methylaminomethyl)-2H-indazol-7-yl]sulfonyl]amino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The InChIKey is XMBBPSHDNBOKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O4S/c1-12-7-14-15(10-20-2)22-23-19(14)16(8-12)30(28,29)25(4)11-17(26)21-13-5-6-24(3)18(27)9-13/h5-9,20H,10-11H2,1-4H3,(H,21,26)(H,22,23).
What are the key properties of 2-[methyl-[[5-methyl-3-(methylaminomethyl)-2H-indazol-7-yl]sulfonyl]amino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
2-[methyl-[[5-methyl-3-(methylaminomethyl)-2H-indazol-7-yl]sulfonyl]amino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide has a molecular weight of 432.51 g/mol, XLogP of 0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[5-methyl-3-(methylaminomethyl)-2H-indazol-7-yl]sulfonyl]amino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide is sourced from PubChem (CID 164573703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).