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

C21H17F2N5O2 — CID 170957678

IUPACN-[(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
SMILESCc1cnc2[nH]cc(C(=O)N[C@@H]3CCc4cc(-c5noc(C(F)F)n5)ccc43)c2c1
InChIInChI=1S/C21H17F2N5O2/c1-10-6-14-15(9-25-19(14)24-8-10)20(29)26-16-5-3-11-7-12(2-4-13(11)16)18-27-21(17(22)23)30-28-18/h2,4,6-9,16-17H,3,5H2,1H3,(H,24,25)(H,26,29)/t16-/m1/s1
InChIKeyOUKKKHROXMMLLO-MRXNPFEDSA-N
MW409.40 g/mol
LogP4.28
Rot. Bonds4

About 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

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 (PubChem CID 170957678) has the molecular formula C21H17F2N5O2 and a molecular weight of 409.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID170957678
Molecular FormulaC21H17F2N5O2
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC NameN-[(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
SMILESCc1cnc2[nH]cc(C(=O)N[C@@H]3CCc4cc(-c5noc(C(F)F)n5)ccc43)c2c1
InChIInChI=1S/C21H17F2N5O2/c1-10-6-14-15(9-25-19(14)24-8-10)20(29)26-16-5-3-11-7-12(2-4-13(11)16)18-27-21(17(22)23)30-28-18/h2,4,6-9,16-17H,3,5H2,1H3,(H,24,25)(H,26,29)/t16-/m1/s1
InChIKeyOUKKKHROXMMLLO-MRXNPFEDSA-N
XLogP4.28
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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]-1,5-dimethylpyrazole-4-carboxamide
CID 139413072
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]-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-[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
N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]oxolane-3-carboxamide
CID 139413080
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
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-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-5-fluoro-2-methylpyridine-4-carboxamide
CID 139412659
2-methyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide
CID 139412361
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

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]-5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cnc2[nH]cc(C(=O)N[C@@H]3CCc4cc(-c5noc(C(F)F)n5)ccc43)c2c1.
What is the InChIKey of 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?
The InChIKey is OUKKKHROXMMLLO-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H17F2N5O2/c1-10-6-14-15(9-25-19(14)24-8-10)20(29)26-16-5-3-11-7-12(2-4-13(11)16)18-27-21(17(22)23)30-28-18/h2,4,6-9,16-17H,3,5H2,1H3,(H,24,25)(H,26,29)/t16-/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]-5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
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 has a molecular weight of 409.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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]-5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 170957678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).