N-[5-[5-[(2R)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1H-indazol-3-yl]benzamide

C28H25N5O2 — CID 171347757

IUPACN-[5-[5-[(2R)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1H-indazol-3-yl]benzamide
SMILESN[C@@H](COc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1)Cc1ccccc1
InChIInChI=1S/C28H25N5O2/c29-23(13-19-7-3-1-4-8-19)18-35-24-14-22(16-30-17-24)21-11-12-26-25(15-21)27(33-32-26)31-28(34)20-9-5-2-6-10-20/h1-12,14-17,23H,13,18,29H2,(H2,31,32,33,34)/t23-/m1/s1
InChIKeyFJEXBYVIDPXIBM-HSZRJFAPSA-N
MW463.54 g/mol
LogP4.83
Rot. Bonds8

About N-[5-[5-[(2R)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1H-indazol-3-yl]benzamide

N-[5-[5-[(2R)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1H-indazol-3-yl]benzamide (PubChem CID 171347757) has the molecular formula C28H25N5O2 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-[5-[5-[(2R)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-[5-[(2R)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1H-indazol-3-yl]benzamide
PubChem CID171347757
Molecular FormulaC28H25N5O2
Molecular Weight463.54 g/mol
Exact Mass463.20
IUPAC NameN-[5-[5-[(2R)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1H-indazol-3-yl]benzamide
SMILESN[C@@H](COc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1)Cc1ccccc1
InChIInChI=1S/C28H25N5O2/c29-23(13-19-7-3-1-4-8-19)18-35-24-14-22(16-30-17-24)21-11-12-26-25(15-21)27(33-32-26)31-28(34)20-9-5-2-6-10-20/h1-12,14-17,23H,13,18,29H2,(H2,31,32,33,34)/t23-/m1/s1
InChIKeyFJEXBYVIDPXIBM-HSZRJFAPSA-N
XLogP4.83
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]benzamide
CID 171349998
N-[5-[5-[(2-aminoacetyl)amino]-3-pyridinyl]-1H-indazol-3-yl]benzamide
CID 171349662
4-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]benzoic acid
CID 22607536
5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-phenyl-3-pyridinyl]-1H-indazol-3-amine
CID 11640651
5-[5-[(2R)-2-amino-3-phenylpropoxy]-2-phenyl-3-pyridinyl]-1H-indazol-3-amine
CID 69133317
(2S)-1-(4-fluorophenyl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
CID 10384897
4-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylbutan-2-amine
CID 20744876
5-[5-[(2S)-2-amino-3-phenylpropoxy]-2-(furan-3-yl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazol-3-amine
CID 58941614
3-benzamido-1H-indazole-5-carboxylic acid
CID 129093990
N-(5-hydroxy-1H-indazol-3-yl)benzamide
CID 45086916
(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
CID 10172943
2-phenyl-N-(5-phenyl-1H-indazol-3-yl)acetamide
CID 169493092

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(2R)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1H-indazol-3-yl]benzamide?
The IUPAC name of N-[5-[5-[(2R)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1H-indazol-3-yl]benzamide (CID 171347757) is N-[5-[5-[(2R)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1H-indazol-3-yl]benzamide.
What is the SMILES notation for N-[5-[5-[(2R)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-[5-[5-[(2R)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1H-indazol-3-yl]benzamide is N[C@@H](COc1cncc(-c2ccc3[nH]nc(NC(=O)c4ccccc4)c3c2)c1)Cc1ccccc1.
What is the InChIKey of N-[5-[5-[(2R)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1H-indazol-3-yl]benzamide?
The InChIKey is FJEXBYVIDPXIBM-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H25N5O2/c29-23(13-19-7-3-1-4-8-19)18-35-24-14-22(16-30-17-24)21-11-12-26-25(15-21)27(33-32-26)31-28(34)20-9-5-2-6-10-20/h1-12,14-17,23H,13,18,29H2,(H2,31,32,33,34)/t23-/m1/s1.
What are the key properties of N-[5-[5-[(2R)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1H-indazol-3-yl]benzamide?
N-[5-[5-[(2R)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1H-indazol-3-yl]benzamide has a molecular weight of 463.54 g/mol, XLogP of 4.83, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(2R)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 171347757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).