N-isoquinolin-6-yl-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide

C20H19N5O3S — CID 171395507

IUPACN-isoquinolin-6-yl-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide
SMILESCc1cc(S(=O)(=O)N(C)CC(=O)Nc2ccc3cnccc3c2)c2[nH]ncc2c1
InChIInChI=1S/C20H19N5O3S/c1-13-7-16-11-22-24-20(16)18(8-13)29(27,28)25(2)12-19(26)23-17-4-3-15-10-21-6-5-14(15)9-17/h3-11H,12H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyOVZOELXDUBHRRZ-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.68
Rot. Bonds5

About N-isoquinolin-6-yl-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide

N-isoquinolin-6-yl-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide (PubChem CID 171395507) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-isoquinolin-6-yl-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide.

Molecular Properties

Compound NameN-isoquinolin-6-yl-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide
PubChem CID171395507
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC NameN-isoquinolin-6-yl-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide
SMILESCc1cc(S(=O)(=O)N(C)CC(=O)Nc2ccc3cnccc3c2)c2[nH]ncc2c1
InChIInChI=1S/C20H19N5O3S/c1-13-7-16-11-22-24-20(16)18(8-13)29(27,28)25(2)12-19(26)23-17-4-3-15-10-21-6-5-14(15)9-17/h3-11H,12H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyOVZOELXDUBHRRZ-UHFFFAOYSA-N
XLogP2.68
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-6-yl-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide?
The IUPAC name of N-isoquinolin-6-yl-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide (CID 171395507) is N-isoquinolin-6-yl-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide.
What is the SMILES notation for N-isoquinolin-6-yl-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide?
The canonical SMILES for N-isoquinolin-6-yl-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide is Cc1cc(S(=O)(=O)N(C)CC(=O)Nc2ccc3cnccc3c2)c2[nH]ncc2c1.
What is the InChIKey of N-isoquinolin-6-yl-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide?
The InChIKey is OVZOELXDUBHRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-13-7-16-11-22-24-20(16)18(8-13)29(27,28)25(2)12-19(26)23-17-4-3-15-10-21-6-5-14(15)9-17/h3-11H,12H2,1-2H3,(H,22,24)(H,23,26).
What are the key properties of N-isoquinolin-6-yl-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide?
N-isoquinolin-6-yl-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide has a molecular weight of 409.47 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-6-yl-2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]acetamide is sourced from PubChem (CID 171395507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).