N-[3-[methyl-[3-(2-phenylethyl)-2H-indazol-6-yl]amino]phenyl]acetamide

C24H24N4O — CID 20778085

IUPACN-[3-[methyl-[3-(2-phenylethyl)-2H-indazol-6-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N(C)c2ccc3c(CCc4ccccc4)[nH]nc3c2)c1
InChIInChI=1S/C24H24N4O/c1-17(29)25-19-9-6-10-20(15-19)28(2)21-12-13-22-23(26-27-24(22)16-21)14-11-18-7-4-3-5-8-18/h3-10,12-13,15-16H,11,14H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyDSRCUYSBOUZCJR-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.07
Rot. Bonds6

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

N-[3-[methyl-[3-(2-phenylethyl)-2H-indazol-6-yl]amino]phenyl]acetamide (PubChem CID 20778085) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[3-[methyl-[3-(2-phenylethyl)-2H-indazol-6-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[methyl-[3-(2-phenylethyl)-2H-indazol-6-yl]amino]phenyl]acetamide
PubChem CID20778085
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[3-[methyl-[3-(2-phenylethyl)-2H-indazol-6-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N(C)c2ccc3c(CCc4ccccc4)[nH]nc3c2)c1
InChIInChI=1S/C24H24N4O/c1-17(29)25-19-9-6-10-20(15-19)28(2)21-12-13-22-23(26-27-24(22)16-21)14-11-18-7-4-3-5-8-18/h3-10,12-13,15-16H,11,14H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyDSRCUYSBOUZCJR-UHFFFAOYSA-N
XLogP5.07
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl-[3-(2-phenylethyl)-2H-indazol-6-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[methyl-[3-(2-phenylethyl)-2H-indazol-6-yl]amino]phenyl]acetamide (CID 20778085) is N-[3-[methyl-[3-(2-phenylethyl)-2H-indazol-6-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[methyl-[3-(2-phenylethyl)-2H-indazol-6-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[methyl-[3-(2-phenylethyl)-2H-indazol-6-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(N(C)c2ccc3c(CCc4ccccc4)[nH]nc3c2)c1.
What is the InChIKey of N-[3-[methyl-[3-(2-phenylethyl)-2H-indazol-6-yl]amino]phenyl]acetamide?
The InChIKey is DSRCUYSBOUZCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-17(29)25-19-9-6-10-20(15-19)28(2)21-12-13-22-23(26-27-24(22)16-21)14-11-18-7-4-3-5-8-18/h3-10,12-13,15-16H,11,14H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of N-[3-[methyl-[3-(2-phenylethyl)-2H-indazol-6-yl]amino]phenyl]acetamide?
N-[3-[methyl-[3-(2-phenylethyl)-2H-indazol-6-yl]amino]phenyl]acetamide has a molecular weight of 384.48 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl-[3-(2-phenylethyl)-2H-indazol-6-yl]amino]phenyl]acetamide is sourced from PubChem (CID 20778085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).