1-[2-amino-3-(2-phenylethynyl)-4-pyridinyl]indazol-3-amine

C20H15N5 — CID 175956127

IUPAC1-[2-amino-3-(2-phenylethynyl)-4-pyridinyl]indazol-3-amine
SMILESNc1nccc(-n2nc(N)c3ccccc32)c1C#Cc1ccccc1
InChIInChI=1S/C20H15N5/c21-19-16(11-10-14-6-2-1-3-7-14)18(12-13-23-19)25-17-9-5-4-8-15(17)20(22)24-25/h1-9,12-13H,(H2,21,23)(H2,22,24)
InChIKeyAPIVCFPCXZRMSJ-UHFFFAOYSA-N
MW325.38 g/mol
LogP2.98
Rot. Bonds1

About 1-[2-amino-3-(2-phenylethynyl)-4-pyridinyl]indazol-3-amine

1-[2-amino-3-(2-phenylethynyl)-4-pyridinyl]indazol-3-amine (PubChem CID 175956127) has the molecular formula C20H15N5 and a molecular weight of 325.38 g/mol. Its IUPAC name is 1-[2-amino-3-(2-phenylethynyl)-4-pyridinyl]indazol-3-amine.

Molecular Properties

Compound Name1-[2-amino-3-(2-phenylethynyl)-4-pyridinyl]indazol-3-amine
PubChem CID175956127
Molecular FormulaC20H15N5
Molecular Weight325.38 g/mol
Exact Mass325.13
IUPAC Name1-[2-amino-3-(2-phenylethynyl)-4-pyridinyl]indazol-3-amine
SMILESNc1nccc(-n2nc(N)c3ccccc32)c1C#Cc1ccccc1
InChIInChI=1S/C20H15N5/c21-19-16(11-10-14-6-2-1-3-7-14)18(12-13-23-19)25-17-9-5-4-8-15(17)20(22)24-25/h1-9,12-13H,(H2,21,23)(H2,22,24)
InChIKeyAPIVCFPCXZRMSJ-UHFFFAOYSA-N
XLogP2.98
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-amino-3-[2-(4-aminophenyl)ethynyl]-4-pyridinyl]indazol-3-amine
CID 175956132
3,10,13,20-tetrakis(2-phenylethynyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 71519456
2,3,5,6-tetra(carbazol-9-yl)-4-(2-phenylethynyl)benzonitrile
CID 121303121
1-(2,5-dichloropyrimidin-4-yl)indazol-3-amine
CID 130205746
1-(3-phenylpropyl)indazol-3-amine
CID 62687133
1-benzyl-3-(2-phenylethynyl)indazole
CID 25222067
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
1,3,5-trifluoro-2,4,6-tris(2-phenylethynyl)benzene
CID 71374842
1-ethenyl-5-phenyl-4-(2-phenylethynyl)pyrazol-3-amine
CID 160797712
2,4-diphenyl-3-(2-phenylethynyl)pyridine
CID 139203994
2,6-dimethyl-1,5-bis(2-phenylethynyl)naphthalene
CID 169050462
3-(2-phenylethynyl)-2-[3-(2-phenylethynyl)-1-benzothiophen-2-yl]-1-benzothiophene
CID 11762399

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-3-(2-phenylethynyl)-4-pyridinyl]indazol-3-amine?
The IUPAC name of 1-[2-amino-3-(2-phenylethynyl)-4-pyridinyl]indazol-3-amine (CID 175956127) is 1-[2-amino-3-(2-phenylethynyl)-4-pyridinyl]indazol-3-amine.
What is the SMILES notation for 1-[2-amino-3-(2-phenylethynyl)-4-pyridinyl]indazol-3-amine?
The canonical SMILES for 1-[2-amino-3-(2-phenylethynyl)-4-pyridinyl]indazol-3-amine is Nc1nccc(-n2nc(N)c3ccccc32)c1C#Cc1ccccc1.
What is the InChIKey of 1-[2-amino-3-(2-phenylethynyl)-4-pyridinyl]indazol-3-amine?
The InChIKey is APIVCFPCXZRMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5/c21-19-16(11-10-14-6-2-1-3-7-14)18(12-13-23-19)25-17-9-5-4-8-15(17)20(22)24-25/h1-9,12-13H,(H2,21,23)(H2,22,24).
What are the key properties of 1-[2-amino-3-(2-phenylethynyl)-4-pyridinyl]indazol-3-amine?
1-[2-amino-3-(2-phenylethynyl)-4-pyridinyl]indazol-3-amine has a molecular weight of 325.38 g/mol, XLogP of 2.98, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-3-(2-phenylethynyl)-4-pyridinyl]indazol-3-amine is sourced from PubChem (CID 175956127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).