N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide

C25H23N3O3 — CID 59797213

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2[nH]nc(/C=C/c3ccccc3)c12
InChIInChI=1S/C25H23N3O3/c1-31-24-19(25(30)26-22(16-29)18-10-6-3-7-11-18)13-15-21-23(24)20(27-28-21)14-12-17-8-4-2-5-9-17/h2-15,22,29H,16H2,1H3,(H,26,30)(H,27,28)/b14-12+/t22-/m1/s1
InChIKeySYGIKHSSEOYIFB-XSEIIIHRSA-N
MW413.48 g/mol
LogP4.21
Rot. Bonds7

About N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide

N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide (PubChem CID 59797213) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide
PubChem CID59797213
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2[nH]nc(/C=C/c3ccccc3)c12
InChIInChI=1S/C25H23N3O3/c1-31-24-19(25(30)26-22(16-29)18-10-6-3-7-11-18)13-15-21-23(24)20(27-28-21)14-12-17-8-4-2-5-9-17/h2-15,22,29H,16H2,1H3,(H,26,30)(H,27,28)/b14-12+/t22-/m1/s1
InChIKeySYGIKHSSEOYIFB-XSEIIIHRSA-N
XLogP4.21
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide (CID 59797213) is N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide is COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2[nH]nc(/C=C/c3ccccc3)c12.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide?
The InChIKey is SYGIKHSSEOYIFB-XSEIIIHRSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-31-24-19(25(30)26-22(16-29)18-10-6-3-7-11-18)13-15-21-23(24)20(27-28-21)14-12-17-8-4-2-5-9-17/h2-15,22,29H,16H2,1H3,(H,26,30)(H,27,28)/b14-12+/t22-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 4.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 59797213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).