3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide

C20H22FN3O3 — CID 58582199

IUPAC3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)N[C@H](CO)C(C)C)ccc2[nH]nc(-c3cccc(F)c3)c12
InChIInChI=1S/C20H22FN3O3/c1-11(2)16(10-25)22-20(26)14-7-8-15-17(19(14)27-3)18(24-23-15)12-5-4-6-13(21)9-12/h4-9,11,16,25H,10H2,1-3H3,(H,22,26)(H,23,24)/t16-/m1/s1
InChIKeyCRCFFZKJLCKOHA-MRXNPFEDSA-N
MW371.41 g/mol
LogP3.12
Rot. Bonds6

About 3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide

3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide (PubChem CID 58582199) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide
PubChem CID58582199
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)N[C@H](CO)C(C)C)ccc2[nH]nc(-c3cccc(F)c3)c12
InChIInChI=1S/C20H22FN3O3/c1-11(2)16(10-25)22-20(26)14-7-8-15-17(19(14)27-3)18(24-23-15)12-5-4-6-13(21)9-12/h4-9,11,16,25H,10H2,1-3H3,(H,22,26)(H,23,24)/t16-/m1/s1
InChIKeyCRCFFZKJLCKOHA-MRXNPFEDSA-N
XLogP3.12
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-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 3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide (CID 58582199) is 3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide is COc1c(C(=O)N[C@H](CO)C(C)C)ccc2[nH]nc(-c3cccc(F)c3)c12.
What is the InChIKey of 3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide?
The InChIKey is CRCFFZKJLCKOHA-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-11(2)16(10-25)22-20(26)14-7-8-15-17(19(14)27-3)18(24-23-15)12-5-4-6-13(21)9-12/h4-9,11,16,25H,10H2,1-3H3,(H,22,26)(H,23,24)/t16-/m1/s1.
What are the key properties of 3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide?
3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide has a molecular weight of 371.41 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 58582199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).