2-amino-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]acetamide

C20H19N5O2 — CID 91668555

IUPAC2-amino-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]acetamide
SMILESCn1cc(-c2c[nH]c3ccc(Oc4ccc(NC(=O)CN)cc4)cc23)cn1
InChIInChI=1S/C20H19N5O2/c1-25-12-13(10-23-25)18-11-22-19-7-6-16(8-17(18)19)27-15-4-2-14(3-5-15)24-20(26)9-21/h2-8,10-12,22H,9,21H2,1H3,(H,24,26)
InChIKeyHGVGFSWIDYRBBA-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.26
Rot. Bonds5

About 2-amino-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]acetamide

2-amino-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]acetamide (PubChem CID 91668555) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-amino-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]acetamide
PubChem CID91668555
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-amino-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]acetamide
SMILESCn1cc(-c2c[nH]c3ccc(Oc4ccc(NC(=O)CN)cc4)cc23)cn1
InChIInChI=1S/C20H19N5O2/c1-25-12-13(10-23-25)18-11-22-19-7-6-16(8-17(18)19)27-15-4-2-14(3-5-15)24-20(26)9-21/h2-8,10-12,22H,9,21H2,1H3,(H,24,26)
InChIKeyHGVGFSWIDYRBBA-UHFFFAOYSA-N
XLogP3.26
TPSA97.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]acetamide?
The IUPAC name of 2-amino-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]acetamide (CID 91668555) is 2-amino-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]acetamide?
The canonical SMILES for 2-amino-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]acetamide is Cn1cc(-c2c[nH]c3ccc(Oc4ccc(NC(=O)CN)cc4)cc23)cn1.
What is the InChIKey of 2-amino-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]acetamide?
The InChIKey is HGVGFSWIDYRBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-25-12-13(10-23-25)18-11-22-19-7-6-16(8-17(18)19)27-15-4-2-14(3-5-15)24-20(26)9-21/h2-8,10-12,22H,9,21H2,1H3,(H,24,26).
What are the key properties of 2-amino-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]acetamide?
2-amino-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]acetamide has a molecular weight of 361.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]acetamide is sourced from PubChem (CID 91668555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).