N-[(2S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]benzamide

C28H25N5O — CID 90221196

IUPACN-[(2S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]benzamide
SMILESCc1[nH]nc2ccc(-c3cncc(N[C@H](CNC(=O)c4ccccc4)c4ccccc4)c3)cc12
InChIInChI=1S/C28H25N5O/c1-19-25-15-22(12-13-26(25)33-32-19)23-14-24(17-29-16-23)31-27(20-8-4-2-5-9-20)18-30-28(34)21-10-6-3-7-11-21/h2-17,27,31H,18H2,1H3,(H,30,34)(H,32,33)/t27-/m1/s1
InChIKeyFIRIZHOUINYUHV-HHHXNRCGSA-N
MW447.54 g/mol
LogP5.52
Rot. Bonds7

About N-[(2S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]benzamide

N-[(2S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]benzamide (PubChem CID 90221196) has the molecular formula C28H25N5O and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[(2S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]benzamide
PubChem CID90221196
Molecular FormulaC28H25N5O
Molecular Weight447.54 g/mol
Exact Mass447.21
IUPAC NameN-[(2S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]benzamide
SMILESCc1[nH]nc2ccc(-c3cncc(N[C@H](CNC(=O)c4ccccc4)c4ccccc4)c3)cc12
InChIInChI=1S/C28H25N5O/c1-19-25-15-22(12-13-26(25)33-32-19)23-14-24(17-29-16-23)31-27(20-8-4-2-5-9-20)18-30-28(34)21-10-6-3-7-11-21/h2-17,27,31H,18H2,1H3,(H,30,34)(H,32,33)/t27-/m1/s1
InChIKeyFIRIZHOUINYUHV-HHHXNRCGSA-N
XLogP5.52
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 55.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]benzamide with MolForge

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Related Compounds

2-[[2-[[5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]amino]ethanol
CID 90220920
(1S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylethanamine
CID 23647009
2-[[5-(3-methylsulfanyl-1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 90220836
N-[(2S)-2-amino-3-phenylpropyl]-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]acetamide
CID 10092344
2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-naphthalen-2-ylsulfonylamino]ethylcarbamic acid
CID 22607165
N-ethyl-3-methyl-2H-indazole-5-carboxamide
CID 58243589
5-[5-[(2-hydroxy-1-phenylethyl)amino]-3-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 118378577
N-[1-(3-methoxyphenyl)-2-(methylamino)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide
CID 146209021
2-[[5-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]amino]-2-phenylethanol
CID 123610587
4-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-phenylbutan-2-amine
CID 20744876
N-[5-[5-[(2-aminoacetyl)amino]-3-pyridinyl]-1H-indazol-3-yl]benzamide
CID 171349662
2-[[5-(1,3-benzodioxol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 90220993

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]benzamide?
The IUPAC name of N-[(2S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]benzamide (CID 90221196) is N-[(2S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]benzamide.
What is the SMILES notation for N-[(2S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]benzamide?
The canonical SMILES for N-[(2S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]benzamide is Cc1[nH]nc2ccc(-c3cncc(N[C@H](CNC(=O)c4ccccc4)c4ccccc4)c3)cc12.
What is the InChIKey of N-[(2S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]benzamide?
The InChIKey is FIRIZHOUINYUHV-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H25N5O/c1-19-25-15-22(12-13-26(25)33-32-19)23-14-24(17-29-16-23)31-27(20-8-4-2-5-9-20)18-30-28(34)21-10-6-3-7-11-21/h2-17,27,31H,18H2,1H3,(H,30,34)(H,32,33)/t27-/m1/s1.
What are the key properties of N-[(2S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]benzamide?
N-[(2S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]benzamide has a molecular weight of 447.54 g/mol, XLogP of 5.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]benzamide is sourced from PubChem (CID 90221196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).