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

C23H21N3O3S — CID 59797343

IUPACN-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC(CO)c2ccccc2)ccc2n[nH]c(/C=C/c3cccs3)c12
InChIInChI=1S/C23H21N3O3S/c1-29-22-17(23(28)24-20(14-27)15-6-3-2-4-7-15)10-12-19-21(22)18(25-26-19)11-9-16-8-5-13-30-16/h2-13,20,27H,14H2,1H3,(H,24,28)(H,25,26)/b11-9+
InChIKeyYTJLANPDZUMBBR-PKNBQFBNSA-N
MW419.51 g/mol
LogP4.27
Rot. Bonds7

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

N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide (PubChem CID 59797343) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide
PubChem CID59797343
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC NameN-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC(CO)c2ccccc2)ccc2n[nH]c(/C=C/c3cccs3)c12
InChIInChI=1S/C23H21N3O3S/c1-29-22-17(23(28)24-20(14-27)15-6-3-2-4-7-15)10-12-19-21(22)18(25-26-19)11-9-16-8-5-13-30-16/h2-13,20,27H,14H2,1H3,(H,24,28)(H,25,26)/b11-9+
InChIKeyYTJLANPDZUMBBR-PKNBQFBNSA-N
XLogP4.27
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide (CID 59797343) is N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide is COc1c(C(=O)NC(CO)c2ccccc2)ccc2n[nH]c(/C=C/c3cccs3)c12.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide?
The InChIKey is YTJLANPDZUMBBR-PKNBQFBNSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-29-22-17(23(28)24-20(14-27)15-6-3-2-4-7-15)10-12-19-21(22)18(25-26-19)11-9-16-8-5-13-30-16/h2-13,20,27H,14H2,1H3,(H,24,28)(H,25,26)/b11-9+.
What are the key properties of N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide?
N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 4.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 59797343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).