5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide

C22H28FN5O2 — CID 139431503

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
SMILESCc1noc(C)c1-c1ccc2[nH]nc(C(=O)NC3CCN(CC(C)(C)F)CC3)c2c1
InChIInChI=1S/C22H28FN5O2/c1-13-19(14(2)30-27-13)15-5-6-18-17(11-15)20(26-25-18)21(29)24-16-7-9-28(10-8-16)12-22(3,4)23/h5-6,11,16H,7-10,12H2,1-4H3,(H,24,29)(H,25,26)
InChIKeyAPEPSWDGWMEHQA-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.78
Rot. Bonds5

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide (PubChem CID 139431503) has the molecular formula C22H28FN5O2 and a molecular weight of 413.50 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
PubChem CID139431503
Molecular FormulaC22H28FN5O2
Molecular Weight413.50 g/mol
Exact Mass413.22
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
SMILESCc1noc(C)c1-c1ccc2[nH]nc(C(=O)NC3CCN(CC(C)(C)F)CC3)c2c1
InChIInChI=1S/C22H28FN5O2/c1-13-19(14(2)30-27-13)15-5-6-18-17(11-15)20(26-25-18)21(29)24-16-7-9-28(10-8-16)12-22(3,4)23/h5-6,11,16H,7-10,12H2,1-4H3,(H,24,29)(H,25,26)
InChIKeyAPEPSWDGWMEHQA-UHFFFAOYSA-N
XLogP3.78
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide (CID 139431503) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide is Cc1noc(C)c1-c1ccc2[nH]nc(C(=O)NC3CCN(CC(C)(C)F)CC3)c2c1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide?
The InChIKey is APEPSWDGWMEHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O2/c1-13-19(14(2)30-27-13)15-5-6-18-17(11-15)20(26-25-18)21(29)24-16-7-9-28(10-8-16)12-22(3,4)23/h5-6,11,16H,7-10,12H2,1-4H3,(H,24,29)(H,25,26).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).