N-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenyl]pyridin-3-amine

C26H21N5 — CID 134460440

IUPACN-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenyl]pyridin-3-amine
SMILESC=C(Nc1cccnc1)c1n[nH]c2ccc(-c3cncc(Cc4ccccc4)c3)cc12
InChIInChI=1S/C26H21N5/c1-18(29-23-8-5-11-27-17-23)26-24-14-21(9-10-25(24)30-31-26)22-13-20(15-28-16-22)12-19-6-3-2-4-7-19/h2-11,13-17,29H,1,12H2,(H,30,31)
InChIKeyHBVXFXJMMMHKHX-UHFFFAOYSA-N
MW403.49 g/mol
LogP5.69
Rot. Bonds6

About N-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenyl]pyridin-3-amine

N-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenyl]pyridin-3-amine (PubChem CID 134460440) has the molecular formula C26H21N5 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenyl]pyridin-3-amine
PubChem CID134460440
Molecular FormulaC26H21N5
Molecular Weight403.49 g/mol
Exact Mass403.18
IUPAC NameN-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenyl]pyridin-3-amine
SMILESC=C(Nc1cccnc1)c1n[nH]c2ccc(-c3cncc(Cc4ccccc4)c3)cc12
InChIInChI=1S/C26H21N5/c1-18(29-23-8-5-11-27-17-23)26-24-14-21(9-10-25(24)30-31-26)22-13-20(15-28-16-22)12-19-6-3-2-4-7-19/h2-11,13-17,29H,1,12H2,(H,30,31)
InChIKeyHBVXFXJMMMHKHX-UHFFFAOYSA-N
XLogP5.69
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.49
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenyl]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-benzyl-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89450774
5-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenylamino]pyridine-2-carbonitrile
CID 142333708
N-[1-[5-[5-[1-(cyclohexylamino)ethenyl]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine
CID 134460542
6-phenyl-N-[1-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine
CID 134460432
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(5-benzyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89451203
N-(5-benzyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89444849
5-[5-[[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl]-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
CID 118381720
2-N,2-N-dimethyl-5-N-[1-(5-pyridin-3-yl-1H-indazol-3-yl)ethenyl]pyridine-2,5-diamine
CID 142333796
5-(5-amino-3-pyridinyl)-N-(3-benzylphenyl)-1H-indazole-3-carboxamide
CID 89459064
N-(5-benzyl-3-pyridinyl)-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381917
N-(3-benzylphenyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89459070
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89445547

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenyl]pyridin-3-amine?
The IUPAC name of N-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenyl]pyridin-3-amine (CID 134460440) is N-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenyl]pyridin-3-amine.
What is the SMILES notation for N-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenyl]pyridin-3-amine?
The canonical SMILES for N-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenyl]pyridin-3-amine is C=C(Nc1cccnc1)c1n[nH]c2ccc(-c3cncc(Cc4ccccc4)c3)cc12.
What is the InChIKey of N-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenyl]pyridin-3-amine?
The InChIKey is HBVXFXJMMMHKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5/c1-18(29-23-8-5-11-27-17-23)26-24-14-21(9-10-25(24)30-31-26)22-13-20(15-28-16-22)12-19-6-3-2-4-7-19/h2-11,13-17,29H,1,12H2,(H,30,31).
What are the key properties of N-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenyl]pyridin-3-amine?
N-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenyl]pyridin-3-amine has a molecular weight of 403.49 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenyl]pyridin-3-amine is sourced from PubChem (CID 134460440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).