N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazole-4-carboxamide

C18H17F2N5O2 — CID 139413072

IUPACN-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@@H]2CCc3cc(-c4noc(C(F)F)n4)ccc32)cnn1C
InChIInChI=1S/C18H17F2N5O2/c1-9-13(8-21-25(9)2)17(26)22-14-6-4-10-7-11(3-5-12(10)14)16-23-18(15(19)20)27-24-16/h3,5,7-8,14-15H,4,6H2,1-2H3,(H,22,26)/t14-/m1/s1
InChIKeyGWLWEOCDIAJDTC-CQSZACIVSA-N
MW373.36 g/mol
LogP3.13
Rot. Bonds4

About N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazole-4-carboxamide

N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 139413072) has the molecular formula C18H17F2N5O2 and a molecular weight of 373.36 g/mol. Its IUPAC name is N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazole-4-carboxamide
PubChem CID139413072
Molecular FormulaC18H17F2N5O2
Molecular Weight373.36 g/mol
Exact Mass373.14
IUPAC NameN-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@@H]2CCc3cc(-c4noc(C(F)F)n4)ccc32)cnn1C
InChIInChI=1S/C18H17F2N5O2/c1-9-13(8-21-25(9)2)17(26)22-14-6-4-10-7-11(3-5-12(10)14)16-23-18(15(19)20)27-24-16/h3,5,7-8,14-15H,4,6H2,1-2H3,(H,22,26)/t14-/m1/s1
InChIKeyGWLWEOCDIAJDTC-CQSZACIVSA-N
XLogP3.13
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylimidazole-4-carboxamide
CID 139412730
N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazolo[5,4-b]pyridine-3-carboxamide
CID 170957620
N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 170957678
N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-2-methylpropanamide
CID 139412191
N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-fluoro-3-(hydroxymethyl)benzamide
CID 139412304
N-[(1R)-5-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide
CID 139330915
N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide
CID 139413080
N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 139412953
1-(2-hydroxyethyl)-N-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide
CID 139412938
N-[(1R)-5-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,2-oxazole-5-carboxamide
CID 139412408
N-[(1R)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-5-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 170957622
5-methyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1H-pyrazole-4-carboxamide
CID 139412194

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazole-4-carboxamide (CID 139413072) is N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)N[C@@H]2CCc3cc(-c4noc(C(F)F)n4)ccc32)cnn1C.
What is the InChIKey of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is GWLWEOCDIAJDTC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17F2N5O2/c1-9-13(8-21-25(9)2)17(26)22-14-6-4-10-7-11(3-5-12(10)14)16-23-18(15(19)20)27-24-16/h3,5,7-8,14-15H,4,6H2,1-2H3,(H,22,26)/t14-/m1/s1.
What are the key properties of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazole-4-carboxamide?
N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 373.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 139413072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).