4-phenyl-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine

C20H20N4O — CID 141106186

IUPAC4-phenyl-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine
SMILESNc1n[nH]c2c(OCCCn3cccc3)ccc(-c3ccccc3)c12
InChIInChI=1S/C20H20N4O/c21-20-18-16(15-7-2-1-3-8-15)9-10-17(19(18)22-23-20)25-14-6-13-24-11-4-5-12-24/h1-5,7-12H,6,13-14H2,(H3,21,22,23)
InChIKeyZWIQPSKGQXUKDD-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.08
Rot. Bonds6

About 4-phenyl-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine

4-phenyl-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine (PubChem CID 141106186) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-phenyl-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine.

Molecular Properties

Compound Name4-phenyl-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine
PubChem CID141106186
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name4-phenyl-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine
SMILESNc1n[nH]c2c(OCCCn3cccc3)ccc(-c3ccccc3)c12
InChIInChI=1S/C20H20N4O/c21-20-18-16(15-7-2-1-3-8-15)9-10-17(19(18)22-23-20)25-14-6-13-24-11-4-5-12-24/h1-5,7-12H,6,13-14H2,(H3,21,22,23)
InChIKeyZWIQPSKGQXUKDD-UHFFFAOYSA-N
XLogP4.08
TPSA68.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4-Dipropyl-5-{4-[4-(1H-tetrazol-5-yl)-phenoxy]-butoxy}-1H-indole
CID 11951987
1-(4-(3-amino-7-(2-(pyrrolidin-1-yl)ethoxy)-1H-indazol-4-yl)phenyl)-3-m-tolylurea
CID 16124975
N-((1H-indol-4-yl)methyl)-6-(4-ethoxyphenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-1-amine
CID 44407192
(S)-5-(5-(2-amino-3-(1H-indol-3-yl)propoxy)pyridin-3-yl)-1H-indazol-3-amine
CID 10237634
(S)-5-(5-(2-amino-3-(1H-indol-3-yl)propoxy)pyridin-3-yl)-N,N-dimethyl-1H-indazol-3-amine
CID 10310117
1-[4-[3-amino-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-4-yl]phenyl]-3-(3-chlorophenyl)urea
CID 49830674
1-[4-[3-amino-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 49830908
6-[(E)-2-[5-[(E)-2-[2-fluoro-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1-methylindole
CID 117888914
4-[2-[3-[(E)-2-[5-[(E)-2-(1H-indol-6-yl)ethenyl]-1H-pyrazol-3-yl]ethenyl]phenoxy]ethyl]morpholine
CID 117888992
US11649255, Example 509
CID 163221168
US11649255, Example 531
CID 164520406
US11649255, Example 539
CID 164718115

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine?
The IUPAC name of 4-phenyl-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine (CID 141106186) is 4-phenyl-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine.
What is the SMILES notation for 4-phenyl-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine?
The canonical SMILES for 4-phenyl-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine is Nc1n[nH]c2c(OCCCn3cccc3)ccc(-c3ccccc3)c12.
What is the InChIKey of 4-phenyl-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine?
The InChIKey is ZWIQPSKGQXUKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c21-20-18-16(15-7-2-1-3-8-15)9-10-17(19(18)22-23-20)25-14-6-13-24-11-4-5-12-24/h1-5,7-12H,6,13-14H2,(H3,21,22,23).
What are the key properties of 4-phenyl-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine?
4-phenyl-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine has a molecular weight of 332.41 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-7-(3-pyrrol-1-ylpropoxy)-1H-indazol-3-amine is sourced from PubChem (CID 141106186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).