N-(1-methylindazol-7-yl)-1-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyrazole-4-sulfonamide

C17H20N6O3S — CID 171918685

IUPACN-(1-methylindazol-7-yl)-1-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyrazole-4-sulfonamide
SMILESCN1C[C@@H](n2cc(S(=O)(=O)Nc3cccc4cnn(C)c34)cn2)CCC1=O
InChIInChI=1S/C17H20N6O3S/c1-21-10-13(6-7-16(21)24)23-11-14(9-19-23)27(25,26)20-15-5-3-4-12-8-18-22(2)17(12)15/h3-5,8-9,11,13,20H,6-7,10H2,1-2H3/t13-/m0/s1
InChIKeyFGZOOSXPLGHKNN-ZDUSSCGKSA-N
MW388.45 g/mol
LogP1.36
Rot. Bonds4

About N-(1-methylindazol-7-yl)-1-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyrazole-4-sulfonamide

N-(1-methylindazol-7-yl)-1-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyrazole-4-sulfonamide (PubChem CID 171918685) has the molecular formula C17H20N6O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(1-methylindazol-7-yl)-1-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-methylindazol-7-yl)-1-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyrazole-4-sulfonamide
PubChem CID171918685
Molecular FormulaC17H20N6O3S
Molecular Weight388.45 g/mol
Exact Mass388.13
IUPAC NameN-(1-methylindazol-7-yl)-1-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyrazole-4-sulfonamide
SMILESCN1C[C@@H](n2cc(S(=O)(=O)Nc3cccc4cnn(C)c34)cn2)CCC1=O
InChIInChI=1S/C17H20N6O3S/c1-21-10-13(6-7-16(21)24)23-11-14(9-19-23)27(25,26)20-15-5-3-4-12-8-18-22(2)17(12)15/h3-5,8-9,11,13,20H,6-7,10H2,1-2H3/t13-/m0/s1
InChIKeyFGZOOSXPLGHKNN-ZDUSSCGKSA-N
XLogP1.36
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 170969141
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CID 171918672
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CID 169989941
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Frequently Asked Questions

What is the IUPAC name of N-(1-methylindazol-7-yl)-1-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyrazole-4-sulfonamide?
The IUPAC name of N-(1-methylindazol-7-yl)-1-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyrazole-4-sulfonamide (CID 171918685) is N-(1-methylindazol-7-yl)-1-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-methylindazol-7-yl)-1-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(1-methylindazol-7-yl)-1-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyrazole-4-sulfonamide is CN1C[C@@H](n2cc(S(=O)(=O)Nc3cccc4cnn(C)c34)cn2)CCC1=O.
What is the InChIKey of N-(1-methylindazol-7-yl)-1-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyrazole-4-sulfonamide?
The InChIKey is FGZOOSXPLGHKNN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N6O3S/c1-21-10-13(6-7-16(21)24)23-11-14(9-19-23)27(25,26)20-15-5-3-4-12-8-18-22(2)17(12)15/h3-5,8-9,11,13,20H,6-7,10H2,1-2H3/t13-/m0/s1.
What are the key properties of N-(1-methylindazol-7-yl)-1-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyrazole-4-sulfonamide?
N-(1-methylindazol-7-yl)-1-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyrazole-4-sulfonamide has a molecular weight of 388.45 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindazol-7-yl)-1-[(3S)-1-methyl-6-oxopiperidin-3-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 171918685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).