4-(4-aminophenyl)-7-pyridin-3-yl-1H-indazol-3-amine

C18H15N5 — CID 66680824

IUPAC4-(4-aminophenyl)-7-pyridin-3-yl-1H-indazol-3-amine
SMILESNc1ccc(-c2ccc(-c3cccnc3)c3[nH]nc(N)c23)cc1
InChIInChI=1S/C18H15N5/c19-13-5-3-11(4-6-13)14-7-8-15(12-2-1-9-21-10-12)17-16(14)18(20)23-22-17/h1-10H,19H2,(H3,20,22,23)
InChIKeyVDLZKKBJURWFPT-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.46
Rot. Bonds2

About 4-(4-aminophenyl)-7-pyridin-3-yl-1H-indazol-3-amine

4-(4-aminophenyl)-7-pyridin-3-yl-1H-indazol-3-amine (PubChem CID 66680824) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-(4-aminophenyl)-7-pyridin-3-yl-1H-indazol-3-amine.

Molecular Properties

Compound Name4-(4-aminophenyl)-7-pyridin-3-yl-1H-indazol-3-amine
PubChem CID66680824
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC Name4-(4-aminophenyl)-7-pyridin-3-yl-1H-indazol-3-amine
SMILESNc1ccc(-c2ccc(-c3cccnc3)c3[nH]nc(N)c23)cc1
InChIInChI=1S/C18H15N5/c19-13-5-3-11(4-6-13)14-7-8-15(12-2-1-9-21-10-12)17-16(14)18(20)23-22-17/h1-10H,19H2,(H3,20,22,23)
InChIKeyVDLZKKBJURWFPT-UHFFFAOYSA-N
XLogP3.46
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-7-pyridin-3-yl-1H-indazol-3-amine?
The IUPAC name of 4-(4-aminophenyl)-7-pyridin-3-yl-1H-indazol-3-amine (CID 66680824) is 4-(4-aminophenyl)-7-pyridin-3-yl-1H-indazol-3-amine.
What is the SMILES notation for 4-(4-aminophenyl)-7-pyridin-3-yl-1H-indazol-3-amine?
The canonical SMILES for 4-(4-aminophenyl)-7-pyridin-3-yl-1H-indazol-3-amine is Nc1ccc(-c2ccc(-c3cccnc3)c3[nH]nc(N)c23)cc1.
What is the InChIKey of 4-(4-aminophenyl)-7-pyridin-3-yl-1H-indazol-3-amine?
The InChIKey is VDLZKKBJURWFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c19-13-5-3-11(4-6-13)14-7-8-15(12-2-1-9-21-10-12)17-16(14)18(20)23-22-17/h1-10H,19H2,(H3,20,22,23).
What are the key properties of 4-(4-aminophenyl)-7-pyridin-3-yl-1H-indazol-3-amine?
4-(4-aminophenyl)-7-pyridin-3-yl-1H-indazol-3-amine has a molecular weight of 301.35 g/mol, XLogP of 3.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-7-pyridin-3-yl-1H-indazol-3-amine is sourced from PubChem (CID 66680824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).