2-fluoro-N-[(1R)-2-[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]cyclohexyl]-2-methylpropanamide

C21H25F2N5O3 — CID 137472410

IUPAC2-fluoro-N-[(1R)-2-[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]cyclohexyl]-2-methylpropanamide
SMILESCC(F)c1nnc(-c2cnc3c(c2)C(=O)N(C2CCCC[C@H]2NC(=O)C(C)(C)F)C3)o1
InChIInChI=1S/C21H25F2N5O3/c1-11(22)17-26-27-18(31-17)12-8-13-15(24-9-12)10-28(19(13)29)16-7-5-4-6-14(16)25-20(30)21(2,3)23/h8-9,11,14,16H,4-7,10H2,1-3H3,(H,25,30)/t11?,14-,16?/m1/s1
InChIKeyHXRKXZAZJBUYBD-OFWKBQFLSA-N
MW433.46 g/mol
LogP3.29
Rot. Bonds5

About 2-fluoro-N-[(1R)-2-[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]cyclohexyl]-2-methylpropanamide

2-fluoro-N-[(1R)-2-[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]cyclohexyl]-2-methylpropanamide (PubChem CID 137472410) has the molecular formula C21H25F2N5O3 and a molecular weight of 433.46 g/mol. Its IUPAC name is 2-fluoro-N-[(1R)-2-[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]cyclohexyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-fluoro-N-[(1R)-2-[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]cyclohexyl]-2-methylpropanamide
PubChem CID137472410
Molecular FormulaC21H25F2N5O3
Molecular Weight433.46 g/mol
Exact Mass433.19
IUPAC Name2-fluoro-N-[(1R)-2-[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]cyclohexyl]-2-methylpropanamide
SMILESCC(F)c1nnc(-c2cnc3c(c2)C(=O)N(C2CCCC[C@H]2NC(=O)C(C)(C)F)C3)o1
InChIInChI=1S/C21H25F2N5O3/c1-11(22)17-26-27-18(31-17)12-8-13-15(24-9-12)10-28(19(13)29)16-7-5-4-6-14(16)25-20(30)21(2,3)23/h8-9,11,14,16H,4-7,10H2,1-3H3,(H,25,30)/t11?,14-,16?/m1/s1
InChIKeyHXRKXZAZJBUYBD-OFWKBQFLSA-N
XLogP3.29
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-N-[(1R)-2-[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]cyclohexyl]-2-methylpropanamide with MolForge

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Related Compounds

N-[[5-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]methyl]benzamide
CID 145961199
US10464911, Example 50
CID 126509177
N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]acetamide
CID 162722780
1-(3-Aminophenyl)-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 163283142
3-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-1-phenylimidazolidine-2,4-dione
CID 163283144
N-[3-[3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]phenyl]acetamide
CID 163283155
3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2,3-dihydro-1H-indol-4-yl)-5,5-dimethylimidazolidine-2,4-dione
CID 163283179
3-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-5,5-dimethylimidazolidine-2,4-dione
CID 163283194
3-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 163283203
3-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(4-fluorophenyl)-5,5-dimethylimidazolidine-2,4-dione
CID 163283207
N-((1R,2R)-2-(3-(5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl)-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)cyclohexyl)-2,2,3,3,3-pentafluoropropanamide
CID 137472644
N-{(3S*,4R*)-4-propyl-1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl}acetamide
CID 72856284

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1R)-2-[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]cyclohexyl]-2-methylpropanamide?
The IUPAC name of 2-fluoro-N-[(1R)-2-[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]cyclohexyl]-2-methylpropanamide (CID 137472410) is 2-fluoro-N-[(1R)-2-[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]cyclohexyl]-2-methylpropanamide.
What is the SMILES notation for 2-fluoro-N-[(1R)-2-[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]cyclohexyl]-2-methylpropanamide?
The canonical SMILES for 2-fluoro-N-[(1R)-2-[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]cyclohexyl]-2-methylpropanamide is CC(F)c1nnc(-c2cnc3c(c2)C(=O)N(C2CCCC[C@H]2NC(=O)C(C)(C)F)C3)o1.
What is the InChIKey of 2-fluoro-N-[(1R)-2-[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]cyclohexyl]-2-methylpropanamide?
The InChIKey is HXRKXZAZJBUYBD-OFWKBQFLSA-N. The full InChI is InChI=1S/C21H25F2N5O3/c1-11(22)17-26-27-18(31-17)12-8-13-15(24-9-12)10-28(19(13)29)16-7-5-4-6-14(16)25-20(30)21(2,3)23/h8-9,11,14,16H,4-7,10H2,1-3H3,(H,25,30)/t11?,14-,16?/m1/s1.
What are the key properties of 2-fluoro-N-[(1R)-2-[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]cyclohexyl]-2-methylpropanamide?
2-fluoro-N-[(1R)-2-[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]cyclohexyl]-2-methylpropanamide has a molecular weight of 433.46 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1R)-2-[3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]cyclohexyl]-2-methylpropanamide is sourced from PubChem (CID 137472410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).