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

C24H22N4O3 — CID 69287567

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2[nH]nc(/C=C/c3cccnc3)c12
InChIInChI=1S/C24H22N4O3/c1-31-23-18(24(30)26-21(15-29)17-7-3-2-4-8-17)10-12-20-22(23)19(27-28-20)11-9-16-6-5-13-25-14-16/h2-14,21,29H,15H2,1H3,(H,26,30)(H,27,28)/b11-9+/t21-/m1/s1
InChIKeyRRLZOYLKYYKISM-FKVRIVCVSA-N
MW414.47 g/mol
LogP3.60
Rot. Bonds7

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

N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole-5-carboxamide (PubChem CID 69287567) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole-5-carboxamide
PubChem CID69287567
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2[nH]nc(/C=C/c3cccnc3)c12
InChIInChI=1S/C24H22N4O3/c1-31-23-18(24(30)26-21(15-29)17-7-3-2-4-8-17)10-12-20-22(23)19(27-28-20)11-9-16-6-5-13-25-14-16/h2-14,21,29H,15H2,1H3,(H,26,30)(H,27,28)/b11-9+/t21-/m1/s1
InChIKeyRRLZOYLKYYKISM-FKVRIVCVSA-N
XLogP3.60
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole-5-carboxamide (CID 69287567) is N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole-5-carboxamide is COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2[nH]nc(/C=C/c3cccnc3)c12.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole-5-carboxamide?
The InChIKey is RRLZOYLKYYKISM-FKVRIVCVSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-31-23-18(24(30)26-21(15-29)17-7-3-2-4-8-17)10-12-20-22(23)19(27-28-20)11-9-16-6-5-13-25-14-16/h2-14,21,29H,15H2,1H3,(H,26,30)(H,27,28)/b11-9+/t21-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole-5-carboxamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole-5-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 3.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 69287567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).