5-(5-amino-3-pyridinyl)-N-(3-benzylphenyl)-1H-indazole-3-carboxamide

C26H21N5O — CID 89459064

IUPAC5-(5-amino-3-pyridinyl)-N-(3-benzylphenyl)-1H-indazole-3-carboxamide
SMILESNc1cncc(-c2ccc3[nH]nc(C(=O)Nc4cccc(Cc5ccccc5)c4)c3c2)c1
InChIInChI=1S/C26H21N5O/c27-21-13-20(15-28-16-21)19-9-10-24-23(14-19)25(31-30-24)26(32)29-22-8-4-7-18(12-22)11-17-5-2-1-3-6-17/h1-10,12-16H,11,27H2,(H,29,32)(H,30,31)
InChIKeySHCMHHQMUYQUIF-UHFFFAOYSA-N
MW419.49 g/mol
LogP5.05
Rot. Bonds5

About 5-(5-amino-3-pyridinyl)-N-(3-benzylphenyl)-1H-indazole-3-carboxamide

5-(5-amino-3-pyridinyl)-N-(3-benzylphenyl)-1H-indazole-3-carboxamide (PubChem CID 89459064) has the molecular formula C26H21N5O and a molecular weight of 419.49 g/mol. Its IUPAC name is 5-(5-amino-3-pyridinyl)-N-(3-benzylphenyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-amino-3-pyridinyl)-N-(3-benzylphenyl)-1H-indazole-3-carboxamide
PubChem CID89459064
Molecular FormulaC26H21N5O
Molecular Weight419.49 g/mol
Exact Mass419.17
IUPAC Name5-(5-amino-3-pyridinyl)-N-(3-benzylphenyl)-1H-indazole-3-carboxamide
SMILESNc1cncc(-c2ccc3[nH]nc(C(=O)Nc4cccc(Cc5ccccc5)c4)c3c2)c1
InChIInChI=1S/C26H21N5O/c27-21-13-20(15-28-16-21)19-9-10-24-23(14-19)25(31-30-24)26(32)29-22-8-4-7-18(12-22)11-17-5-2-1-3-6-17/h1-10,12-16H,11,27H2,(H,29,32)(H,30,31)
InChIKeySHCMHHQMUYQUIF-UHFFFAOYSA-N
XLogP5.05
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.49
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-benzylphenyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89459070
5-(5-benzyl-3-pyridinyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89450774
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(5-benzyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89451203
5-(5-amino-3-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazole-3-carboxamide
CID 118382133
N-(5-benzyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89444849
5-(5-amino-3-pyridinyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382058
N-(3-benzylphenyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(3-benzylphenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(3-benzylphenyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 159535559
N-(5-benzyl-3-pyridinyl)-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381917
5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
CID 89458778
N-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]benzamide
CID 171349998
5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[3-(piperidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
CID 89458744
5-(5-amino-3-pyridinyl)-N-(5-fluoro-2-pyridinyl)-1H-indazole-3-carboxamide
CID 118381935

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-3-pyridinyl)-N-(3-benzylphenyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-(5-amino-3-pyridinyl)-N-(3-benzylphenyl)-1H-indazole-3-carboxamide (CID 89459064) is 5-(5-amino-3-pyridinyl)-N-(3-benzylphenyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(5-amino-3-pyridinyl)-N-(3-benzylphenyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(5-amino-3-pyridinyl)-N-(3-benzylphenyl)-1H-indazole-3-carboxamide is Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4cccc(Cc5ccccc5)c4)c3c2)c1.
What is the InChIKey of 5-(5-amino-3-pyridinyl)-N-(3-benzylphenyl)-1H-indazole-3-carboxamide?
The InChIKey is SHCMHHQMUYQUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O/c27-21-13-20(15-28-16-21)19-9-10-24-23(14-19)25(31-30-24)26(32)29-22-8-4-7-18(12-22)11-17-5-2-1-3-6-17/h1-10,12-16H,11,27H2,(H,29,32)(H,30,31).
What are the key properties of 5-(5-amino-3-pyridinyl)-N-(3-benzylphenyl)-1H-indazole-3-carboxamide?
5-(5-amino-3-pyridinyl)-N-(3-benzylphenyl)-1H-indazole-3-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 5.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-3-pyridinyl)-N-(3-benzylphenyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 89459064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).