4-(1H-indol-5-yl)-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine

C22H21N5O — CID 11383146

IUPAC4-(1H-indol-5-yl)-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine
SMILESNc1n[nH]c2c(OCCCn3cccc3)ccc(-c3ccc4[nH]ccc4c3)c12
InChIInChI=1S/C22H21N5O/c23-22-20-17(15-4-6-18-16(14-15)8-9-24-18)5-7-19(21(20)25-26-22)28-13-3-12-27-10-1-2-11-27/h1-2,4-11,14,24H,3,12-13H2,(H3,23,25,26)
InChIKeyUUQFSHOXZPVAQV-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.56
Rot. Bonds6

About 4-(1H-indol-5-yl)-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine

4-(1H-indol-5-yl)-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine (PubChem CID 11383146) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-(1H-indol-5-yl)-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine.

Molecular Properties

Compound Name4-(1H-indol-5-yl)-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine
PubChem CID11383146
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name4-(1H-indol-5-yl)-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine
SMILESNc1n[nH]c2c(OCCCn3cccc3)ccc(-c3ccc4[nH]ccc4c3)c12
InChIInChI=1S/C22H21N5O/c23-22-20-17(15-4-6-18-16(14-15)8-9-24-18)5-7-19(21(20)25-26-22)28-13-3-12-27-10-1-2-11-27/h1-2,4-11,14,24H,3,12-13H2,(H3,23,25,26)
InChIKeyUUQFSHOXZPVAQV-UHFFFAOYSA-N
XLogP4.56
TPSA84.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-5-yl)-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine?
The IUPAC name of 4-(1H-indol-5-yl)-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine (CID 11383146) is 4-(1H-indol-5-yl)-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine.
What is the SMILES notation for 4-(1H-indol-5-yl)-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine?
The canonical SMILES for 4-(1H-indol-5-yl)-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine is Nc1n[nH]c2c(OCCCn3cccc3)ccc(-c3ccc4[nH]ccc4c3)c12.
What is the InChIKey of 4-(1H-indol-5-yl)-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine?
The InChIKey is UUQFSHOXZPVAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c23-22-20-17(15-4-6-18-16(14-15)8-9-24-18)5-7-19(21(20)25-26-22)28-13-3-12-27-10-1-2-11-27/h1-2,4-11,14,24H,3,12-13H2,(H3,23,25,26).
What are the key properties of 4-(1H-indol-5-yl)-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine?
4-(1H-indol-5-yl)-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine has a molecular weight of 371.44 g/mol, XLogP of 4.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-5-yl)-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine is sourced from PubChem (CID 11383146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).