N-[2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-6-fluoro-3-oxo-1H-isoindol-4-yl]-2-methylindazole-4-carboxamide

C24H25FN4O3 — CID 163382233

IUPACN-[2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-6-fluoro-3-oxo-1H-isoindol-4-yl]-2-methylindazole-4-carboxamide
SMILESCn1cc2c(C(=O)Nc3cc(F)cc4c3C(=O)N([C@H](C3CC3)C(C)(C)O)C4)cccc2n1
InChIInChI=1S/C24H25FN4O3/c1-24(2,32)21(13-7-8-13)29-11-14-9-15(25)10-19(20(14)23(29)31)26-22(30)16-5-4-6-18-17(16)12-28(3)27-18/h4-6,9-10,12-13,21,32H,7-8,11H2,1-3H3,(H,26,30)/t21-/m1/s1
InChIKeyRKJGPECXPRDMNX-OAQYLSRUSA-N
MW436.49 g/mol
LogP3.47
Rot. Bonds5

About N-[2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-6-fluoro-3-oxo-1H-isoindol-4-yl]-2-methylindazole-4-carboxamide

N-[2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-6-fluoro-3-oxo-1H-isoindol-4-yl]-2-methylindazole-4-carboxamide (PubChem CID 163382233) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-6-fluoro-3-oxo-1H-isoindol-4-yl]-2-methylindazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-6-fluoro-3-oxo-1H-isoindol-4-yl]-2-methylindazole-4-carboxamide
PubChem CID163382233
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC NameN-[2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-6-fluoro-3-oxo-1H-isoindol-4-yl]-2-methylindazole-4-carboxamide
SMILESCn1cc2c(C(=O)Nc3cc(F)cc4c3C(=O)N([C@H](C3CC3)C(C)(C)O)C4)cccc2n1
InChIInChI=1S/C24H25FN4O3/c1-24(2,32)21(13-7-8-13)29-11-14-9-15(25)10-19(20(14)23(29)31)26-22(30)16-5-4-6-18-17(16)12-28(3)27-18/h4-6,9-10,12-13,21,32H,7-8,11H2,1-3H3,(H,26,30)/t21-/m1/s1
InChIKeyRKJGPECXPRDMNX-OAQYLSRUSA-N
XLogP3.47
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-6-fluoro-3-oxo-1H-isoindol-4-yl]-2-methylindazole-4-carboxamide?
The IUPAC name of N-[2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-6-fluoro-3-oxo-1H-isoindol-4-yl]-2-methylindazole-4-carboxamide (CID 163382233) is N-[2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-6-fluoro-3-oxo-1H-isoindol-4-yl]-2-methylindazole-4-carboxamide.
What is the SMILES notation for N-[2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-6-fluoro-3-oxo-1H-isoindol-4-yl]-2-methylindazole-4-carboxamide?
The canonical SMILES for N-[2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-6-fluoro-3-oxo-1H-isoindol-4-yl]-2-methylindazole-4-carboxamide is Cn1cc2c(C(=O)Nc3cc(F)cc4c3C(=O)N([C@H](C3CC3)C(C)(C)O)C4)cccc2n1.
What is the InChIKey of N-[2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-6-fluoro-3-oxo-1H-isoindol-4-yl]-2-methylindazole-4-carboxamide?
The InChIKey is RKJGPECXPRDMNX-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-24(2,32)21(13-7-8-13)29-11-14-9-15(25)10-19(20(14)23(29)31)26-22(30)16-5-4-6-18-17(16)12-28(3)27-18/h4-6,9-10,12-13,21,32H,7-8,11H2,1-3H3,(H,26,30)/t21-/m1/s1.
What are the key properties of N-[2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-6-fluoro-3-oxo-1H-isoindol-4-yl]-2-methylindazole-4-carboxamide?
N-[2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-6-fluoro-3-oxo-1H-isoindol-4-yl]-2-methylindazole-4-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-6-fluoro-3-oxo-1H-isoindol-4-yl]-2-methylindazole-4-carboxamide is sourced from PubChem (CID 163382233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).