3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide

C20H22FN3O3 — CID 58582175

IUPAC3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide
SMILESCOc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C20H22FN3O3/c1-11(2)17(10-25)22-20(26)15-8-14-16(9-18(15)27-3)23-24-19(14)12-5-4-6-13(21)7-12/h4-9,11,17,25H,10H2,1-3H3,(H,22,26)(H,23,24)/t17-/m1/s1
InChIKeyNDJLCFFUYCNACV-QGZVFWFLSA-N
MW371.41 g/mol
LogP3.12
Rot. Bonds6

About 3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide

3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide (PubChem CID 58582175) 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]-6-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide
PubChem CID58582175
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide
SMILESCOc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C20H22FN3O3/c1-11(2)17(10-25)22-20(26)15-8-14-16(9-18(15)27-3)23-24-19(14)12-5-4-6-13(21)7-12/h4-9,11,17,25H,10H2,1-3H3,(H,22,26)(H,23,24)/t17-/m1/s1
InChIKeyNDJLCFFUYCNACV-QGZVFWFLSA-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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide (CID 58582175) is 3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide is COc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)N[C@H](CO)C(C)C.
What is the InChIKey of 3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide?
The InChIKey is NDJLCFFUYCNACV-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-11(2)17(10-25)22-20(26)15-8-14-16(9-18(15)27-3)23-24-19(14)12-5-4-6-13(21)7-12/h4-9,11,17,25H,10H2,1-3H3,(H,22,26)(H,23,24)/t17-/m1/s1.
What are the key properties of 3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide?
3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-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]-6-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 58582175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).