2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-naphthalen-2-ylsulfonylamino]ethylcarbamic acid

C26H23N5O4S — CID 22607165

IUPAC2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-naphthalen-2-ylsulfonylamino]ethylcarbamic acid
SMILESCc1[nH]nc2ccc(-c3cncc(N(CCNC(=O)O)S(=O)(=O)c4ccc5ccccc5c4)c3)cc12
InChIInChI=1S/C26H23N5O4S/c1-17-24-14-20(7-9-25(24)30-29-17)21-12-22(16-27-15-21)31(11-10-28-26(32)33)36(34,35)23-8-6-18-4-2-3-5-19(18)13-23/h2-9,12-16,28H,10-11H2,1H3,(H,29,30)(H,32,33)
InChIKeyPSJFMCJNNKRUKD-UHFFFAOYSA-N
MW501.57 g/mol
LogP4.55
Rot. Bonds7

About 2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-naphthalen-2-ylsulfonylamino]ethylcarbamic acid

2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-naphthalen-2-ylsulfonylamino]ethylcarbamic acid (PubChem CID 22607165) has the molecular formula C26H23N5O4S and a molecular weight of 501.57 g/mol. Its IUPAC name is 2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-naphthalen-2-ylsulfonylamino]ethylcarbamic acid.

Molecular Properties

Compound Name2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-naphthalen-2-ylsulfonylamino]ethylcarbamic acid
PubChem CID22607165
Molecular FormulaC26H23N5O4S
Molecular Weight501.57 g/mol
Exact Mass501.15
IUPAC Name2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-naphthalen-2-ylsulfonylamino]ethylcarbamic acid
SMILESCc1[nH]nc2ccc(-c3cncc(N(CCNC(=O)O)S(=O)(=O)c4ccc5ccccc5c4)c3)cc12
InChIInChI=1S/C26H23N5O4S/c1-17-24-14-20(7-9-25(24)30-29-17)21-12-22(16-27-15-21)31(11-10-28-26(32)33)36(34,35)23-8-6-18-4-2-3-5-19(18)13-23/h2-9,12-16,28H,10-11H2,1H3,(H,29,30)(H,32,33)
InChIKeyPSJFMCJNNKRUKD-UHFFFAOYSA-N
XLogP4.55
TPSA128.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.57
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-naphthalen-2-ylsulfonylamino]ethylcarbamic acid?
The IUPAC name of 2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-naphthalen-2-ylsulfonylamino]ethylcarbamic acid (CID 22607165) is 2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-naphthalen-2-ylsulfonylamino]ethylcarbamic acid.
What is the SMILES notation for 2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-naphthalen-2-ylsulfonylamino]ethylcarbamic acid?
The canonical SMILES for 2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-naphthalen-2-ylsulfonylamino]ethylcarbamic acid is Cc1[nH]nc2ccc(-c3cncc(N(CCNC(=O)O)S(=O)(=O)c4ccc5ccccc5c4)c3)cc12.
What is the InChIKey of 2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-naphthalen-2-ylsulfonylamino]ethylcarbamic acid?
The InChIKey is PSJFMCJNNKRUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O4S/c1-17-24-14-20(7-9-25(24)30-29-17)21-12-22(16-27-15-21)31(11-10-28-26(32)33)36(34,35)23-8-6-18-4-2-3-5-19(18)13-23/h2-9,12-16,28H,10-11H2,1H3,(H,29,30)(H,32,33).
What are the key properties of 2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-naphthalen-2-ylsulfonylamino]ethylcarbamic acid?
2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-naphthalen-2-ylsulfonylamino]ethylcarbamic acid has a molecular weight of 501.57 g/mol, XLogP of 4.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-naphthalen-2-ylsulfonylamino]ethylcarbamic acid is sourced from PubChem (CID 22607165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).