ethane;3-[3-[2-[ethyl(propyl)amino]ethoxy]phenyl]-1H-indazole-5-carboxamide

C23H32N4O2 — CID 143349905

IUPACethane;3-[3-[2-[ethyl(propyl)amino]ethoxy]phenyl]-1H-indazole-5-carboxamide
SMILESCC.CCCN(CC)CCOc1cccc(-c2n[nH]c3ccc(C(N)=O)cc23)c1
InChIInChI=1S/C21H26N4O2.C2H6/c1-3-10-25(4-2)11-12-27-17-7-5-6-15(13-17)20-18-14-16(21(22)26)8-9-19(18)23-24-20;1-2/h5-9,13-14H,3-4,10-12H2,1-2H3,(H2,22,26)(H,23,24);1-2H3
InChIKeyAQRQOYCUNJXZML-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.47
Rot. Bonds9

About ethane;3-[3-[2-[ethyl(propyl)amino]ethoxy]phenyl]-1H-indazole-5-carboxamide

ethane;3-[3-[2-[ethyl(propyl)amino]ethoxy]phenyl]-1H-indazole-5-carboxamide (PubChem CID 143349905) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is ethane;3-[3-[2-[ethyl(propyl)amino]ethoxy]phenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Nameethane;3-[3-[2-[ethyl(propyl)amino]ethoxy]phenyl]-1H-indazole-5-carboxamide
PubChem CID143349905
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Nameethane;3-[3-[2-[ethyl(propyl)amino]ethoxy]phenyl]-1H-indazole-5-carboxamide
SMILESCC.CCCN(CC)CCOc1cccc(-c2n[nH]c3ccc(C(N)=O)cc23)c1
InChIInChI=1S/C21H26N4O2.C2H6/c1-3-10-25(4-2)11-12-27-17-7-5-6-15(13-17)20-18-14-16(21(22)26)8-9-19(18)23-24-20;1-2/h5-9,13-14H,3-4,10-12H2,1-2H3,(H2,22,26)(H,23,24);1-2H3
InChIKeyAQRQOYCUNJXZML-UHFFFAOYSA-N
XLogP4.47
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[3-[2-[ethyl(propyl)amino]ethoxy]phenyl]-1H-indazole-5-carboxamide?
The IUPAC name of ethane;3-[3-[2-[ethyl(propyl)amino]ethoxy]phenyl]-1H-indazole-5-carboxamide (CID 143349905) is ethane;3-[3-[2-[ethyl(propyl)amino]ethoxy]phenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for ethane;3-[3-[2-[ethyl(propyl)amino]ethoxy]phenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for ethane;3-[3-[2-[ethyl(propyl)amino]ethoxy]phenyl]-1H-indazole-5-carboxamide is CC.CCCN(CC)CCOc1cccc(-c2n[nH]c3ccc(C(N)=O)cc23)c1.
What is the InChIKey of ethane;3-[3-[2-[ethyl(propyl)amino]ethoxy]phenyl]-1H-indazole-5-carboxamide?
The InChIKey is AQRQOYCUNJXZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2.C2H6/c1-3-10-25(4-2)11-12-27-17-7-5-6-15(13-17)20-18-14-16(21(22)26)8-9-19(18)23-24-20;1-2/h5-9,13-14H,3-4,10-12H2,1-2H3,(H2,22,26)(H,23,24);1-2H3.
What are the key properties of ethane;3-[3-[2-[ethyl(propyl)amino]ethoxy]phenyl]-1H-indazole-5-carboxamide?
ethane;3-[3-[2-[ethyl(propyl)amino]ethoxy]phenyl]-1H-indazole-5-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 4.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[3-[2-[ethyl(propyl)amino]ethoxy]phenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 143349905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).