N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide

C26H23FN6O3 — CID 44515676

IUPACN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESCOc1cccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)c2ncn[nH]2)c1
InChIInChI=1S/C26H23FN6O3/c1-16(31-26(34)25-28-15-29-32-25)24(17-4-3-5-21(12-17)35-2)36-22-10-11-23-18(13-22)14-30-33(23)20-8-6-19(27)7-9-20/h3-16,24H,1-2H3,(H,31,34)(H,28,29,32)/t16-,24-/m0/s1
InChIKeyMIGUHMNUEXTMRA-FYSMJZIKSA-N
MW486.51 g/mol
LogP4.23
Rot. Bonds8

About N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide

N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 44515676) has the molecular formula C26H23FN6O3 and a molecular weight of 486.51 g/mol. Its IUPAC name is N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID44515676
Molecular FormulaC26H23FN6O3
Molecular Weight486.51 g/mol
Exact Mass486.18
IUPAC NameN-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESCOc1cccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)c2ncn[nH]2)c1
InChIInChI=1S/C26H23FN6O3/c1-16(31-26(34)25-28-15-29-32-25)24(17-4-3-5-21(12-17)35-2)36-22-10-11-23-18(13-22)14-30-33(23)20-8-6-19(27)7-9-20/h3-16,24H,1-2H3,(H,31,34)(H,28,29,32)/t16-,24-/m0/s1
InChIKeyMIGUHMNUEXTMRA-FYSMJZIKSA-N
XLogP4.23
TPSA106.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.51
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazole-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

Related Compounds

2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 25012191
N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1,3-thiazole-2-carboxamide
CID 66812491
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1-methylpyrrole-2-carboxamide
CID 59339897
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]furan-2-carboxamide
CID 25013162
N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-5-methylthiophene-2-carboxamide
CID 66813032
N-[(1R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 143701095
N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-2-(2-methoxyethoxy)acetamide
CID 91171875
2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-hydroxyphenyl)propan-2-yl]acetamide
CID 25012028
2,2,2-trifluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 91274945
tert-butyl 2-[[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 66812853
N-[(1R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 71095199
N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-2-methoxyacetamide
CID 91266310

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide (CID 44515676) is N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide is COc1cccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)c2ncn[nH]2)c1.
What is the InChIKey of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is MIGUHMNUEXTMRA-FYSMJZIKSA-N. The full InChI is InChI=1S/C26H23FN6O3/c1-16(31-26(34)25-28-15-29-32-25)24(17-4-3-5-21(12-17)35-2)36-22-10-11-23-18(13-22)14-30-33(23)20-8-6-19(27)7-9-20/h3-16,24H,1-2H3,(H,31,34)(H,28,29,32)/t16-,24-/m0/s1.
What are the key properties of N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide?
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 486.51 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 44515676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).