2-[3-(3-amino-1H-indazol-6-yl)-5-(2-phenylethyl)phenyl]acetamide

C23H22N4O — CID 173091479

IUPAC2-[3-(3-amino-1H-indazol-6-yl)-5-(2-phenylethyl)phenyl]acetamide
SMILESNC(=O)Cc1cc(CCc2ccccc2)cc(-c2ccc3c(N)n[nH]c3c2)c1
InChIInChI=1S/C23H22N4O/c24-22(28)13-17-10-16(7-6-15-4-2-1-3-5-15)11-19(12-17)18-8-9-20-21(14-18)26-27-23(20)25/h1-5,8-12,14H,6-7,13H2,(H2,24,28)(H3,25,26,27)
InChIKeyVDRRIBDNRULSHC-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.63
Rot. Bonds6

About 2-[3-(3-amino-1H-indazol-6-yl)-5-(2-phenylethyl)phenyl]acetamide

2-[3-(3-amino-1H-indazol-6-yl)-5-(2-phenylethyl)phenyl]acetamide (PubChem CID 173091479) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-[3-(3-amino-1H-indazol-6-yl)-5-(2-phenylethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(3-amino-1H-indazol-6-yl)-5-(2-phenylethyl)phenyl]acetamide
PubChem CID173091479
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name2-[3-(3-amino-1H-indazol-6-yl)-5-(2-phenylethyl)phenyl]acetamide
SMILESNC(=O)Cc1cc(CCc2ccccc2)cc(-c2ccc3c(N)n[nH]c3c2)c1
InChIInChI=1S/C23H22N4O/c24-22(28)13-17-10-16(7-6-15-4-2-1-3-5-15)11-19(12-17)18-8-9-20-21(14-18)26-27-23(20)25/h1-5,8-12,14H,6-7,13H2,(H2,24,28)(H3,25,26,27)
InChIKeyVDRRIBDNRULSHC-UHFFFAOYSA-N
XLogP3.63
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-amino-1H-indazol-6-yl)-5-(2-phenylethyl)phenyl]acetamide?
The IUPAC name of 2-[3-(3-amino-1H-indazol-6-yl)-5-(2-phenylethyl)phenyl]acetamide (CID 173091479) is 2-[3-(3-amino-1H-indazol-6-yl)-5-(2-phenylethyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(3-amino-1H-indazol-6-yl)-5-(2-phenylethyl)phenyl]acetamide?
The canonical SMILES for 2-[3-(3-amino-1H-indazol-6-yl)-5-(2-phenylethyl)phenyl]acetamide is NC(=O)Cc1cc(CCc2ccccc2)cc(-c2ccc3c(N)n[nH]c3c2)c1.
What is the InChIKey of 2-[3-(3-amino-1H-indazol-6-yl)-5-(2-phenylethyl)phenyl]acetamide?
The InChIKey is VDRRIBDNRULSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c24-22(28)13-17-10-16(7-6-15-4-2-1-3-5-15)11-19(12-17)18-8-9-20-21(14-18)26-27-23(20)25/h1-5,8-12,14H,6-7,13H2,(H2,24,28)(H3,25,26,27).
What are the key properties of 2-[3-(3-amino-1H-indazol-6-yl)-5-(2-phenylethyl)phenyl]acetamide?
2-[3-(3-amino-1H-indazol-6-yl)-5-(2-phenylethyl)phenyl]acetamide has a molecular weight of 370.46 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-amino-1H-indazol-6-yl)-5-(2-phenylethyl)phenyl]acetamide is sourced from PubChem (CID 173091479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).