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

C21H25N5O5S — CID 171395578

IUPAC2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-[1-(oxan-4-yl)-2-oxo-4-pyridinyl]acetamide
SMILESCc1cc(S(=O)(=O)N(C)CC(=O)Nc2ccn(C3CCOCC3)c(=O)c2)c2[nH]ncc2c1
InChIInChI=1S/C21H25N5O5S/c1-14-9-15-12-22-24-21(15)18(10-14)32(29,30)25(2)13-19(27)23-16-3-6-26(20(28)11-16)17-4-7-31-8-5-17/h3,6,9-12,17H,4-5,7-8,13H2,1-2H3,(H,22,24)(H,23,27)
InChIKeyPXSFRMAOOYTKRF-UHFFFAOYSA-N
MW459.53 g/mol
LogP1.64
Rot. Bonds6

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

2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-[1-(oxan-4-yl)-2-oxo-4-pyridinyl]acetamide (PubChem CID 171395578) has the molecular formula C21H25N5O5S and a molecular weight of 459.53 g/mol. Its IUPAC name is 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-[1-(oxan-4-yl)-2-oxo-4-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-[1-(oxan-4-yl)-2-oxo-4-pyridinyl]acetamide
PubChem CID171395578
Molecular FormulaC21H25N5O5S
Molecular Weight459.53 g/mol
Exact Mass459.16
IUPAC Name2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-[1-(oxan-4-yl)-2-oxo-4-pyridinyl]acetamide
SMILESCc1cc(S(=O)(=O)N(C)CC(=O)Nc2ccn(C3CCOCC3)c(=O)c2)c2[nH]ncc2c1
InChIInChI=1S/C21H25N5O5S/c1-14-9-15-12-22-24-21(15)18(10-14)32(29,30)25(2)13-19(27)23-16-3-6-26(20(28)11-16)17-4-7-31-8-5-17/h3,6,9-12,17H,4-5,7-8,13H2,1-2H3,(H,22,24)(H,23,27)
InChIKeyPXSFRMAOOYTKRF-UHFFFAOYSA-N
XLogP1.64
TPSA126.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-[1-(oxan-4-yl)-2-oxo-4-pyridinyl]acetamide?
The IUPAC name of 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-[1-(oxan-4-yl)-2-oxo-4-pyridinyl]acetamide (CID 171395578) is 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-[1-(oxan-4-yl)-2-oxo-4-pyridinyl]acetamide.
What is the SMILES notation for 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-[1-(oxan-4-yl)-2-oxo-4-pyridinyl]acetamide?
The canonical SMILES for 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-[1-(oxan-4-yl)-2-oxo-4-pyridinyl]acetamide is Cc1cc(S(=O)(=O)N(C)CC(=O)Nc2ccn(C3CCOCC3)c(=O)c2)c2[nH]ncc2c1.
What is the InChIKey of 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-[1-(oxan-4-yl)-2-oxo-4-pyridinyl]acetamide?
The InChIKey is PXSFRMAOOYTKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O5S/c1-14-9-15-12-22-24-21(15)18(10-14)32(29,30)25(2)13-19(27)23-16-3-6-26(20(28)11-16)17-4-7-31-8-5-17/h3,6,9-12,17H,4-5,7-8,13H2,1-2H3,(H,22,24)(H,23,27).
What are the key properties of 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-[1-(oxan-4-yl)-2-oxo-4-pyridinyl]acetamide?
2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-[1-(oxan-4-yl)-2-oxo-4-pyridinyl]acetamide has a molecular weight of 459.53 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-[1-(oxan-4-yl)-2-oxo-4-pyridinyl]acetamide is sourced from PubChem (CID 171395578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).