2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(6-fluoro-3-methyl-2H-indazol-5-yl)-3H-isoindol-1-one

C23H24FN3O2 — CID 163382312

IUPAC2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(6-fluoro-3-methyl-2H-indazol-5-yl)-3H-isoindol-1-one
SMILESCc1[nH]nc2cc(F)c(-c3cccc4c3C(=O)N([C@H](C3CC3)C(C)(C)O)C4)cc12
InChIInChI=1S/C23H24FN3O2/c1-12-16-9-17(18(24)10-19(16)26-25-12)15-6-4-5-14-11-27(22(28)20(14)15)21(13-7-8-13)23(2,3)29/h4-6,9-10,13,21,29H,7-8,11H2,1-3H3,(H,25,26)/t21-/m1/s1
InChIKeyNJQGFCMGOWQOMJ-OAQYLSRUSA-N
MW393.46 g/mol
LogP4.18
Rot. Bonds4

About 2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(6-fluoro-3-methyl-2H-indazol-5-yl)-3H-isoindol-1-one

2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(6-fluoro-3-methyl-2H-indazol-5-yl)-3H-isoindol-1-one (PubChem CID 163382312) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(6-fluoro-3-methyl-2H-indazol-5-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(6-fluoro-3-methyl-2H-indazol-5-yl)-3H-isoindol-1-one
PubChem CID163382312
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(6-fluoro-3-methyl-2H-indazol-5-yl)-3H-isoindol-1-one
SMILESCc1[nH]nc2cc(F)c(-c3cccc4c3C(=O)N([C@H](C3CC3)C(C)(C)O)C4)cc12
InChIInChI=1S/C23H24FN3O2/c1-12-16-9-17(18(24)10-19(16)26-25-12)15-6-4-5-14-11-27(22(28)20(14)15)21(13-7-8-13)23(2,3)29/h4-6,9-10,13,21,29H,7-8,11H2,1-3H3,(H,25,26)/t21-/m1/s1
InChIKeyNJQGFCMGOWQOMJ-OAQYLSRUSA-N
XLogP4.18
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(6-fluoro-3-methyl-2H-indazol-5-yl)-3H-isoindol-1-one?
The IUPAC name of 2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(6-fluoro-3-methyl-2H-indazol-5-yl)-3H-isoindol-1-one (CID 163382312) is 2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(6-fluoro-3-methyl-2H-indazol-5-yl)-3H-isoindol-1-one.
What is the SMILES notation for 2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(6-fluoro-3-methyl-2H-indazol-5-yl)-3H-isoindol-1-one?
The canonical SMILES for 2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(6-fluoro-3-methyl-2H-indazol-5-yl)-3H-isoindol-1-one is Cc1[nH]nc2cc(F)c(-c3cccc4c3C(=O)N([C@H](C3CC3)C(C)(C)O)C4)cc12.
What is the InChIKey of 2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(6-fluoro-3-methyl-2H-indazol-5-yl)-3H-isoindol-1-one?
The InChIKey is NJQGFCMGOWQOMJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-12-16-9-17(18(24)10-19(16)26-25-12)15-6-4-5-14-11-27(22(28)20(14)15)21(13-7-8-13)23(2,3)29/h4-6,9-10,13,21,29H,7-8,11H2,1-3H3,(H,25,26)/t21-/m1/s1.
What are the key properties of 2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(6-fluoro-3-methyl-2H-indazol-5-yl)-3H-isoindol-1-one?
2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(6-fluoro-3-methyl-2H-indazol-5-yl)-3H-isoindol-1-one has a molecular weight of 393.46 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(6-fluoro-3-methyl-2H-indazol-5-yl)-3H-isoindol-1-one is sourced from PubChem (CID 163382312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).