(2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide

C24H37FN6O4 — CID 146151527

IUPAC(2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N1CC(F)(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](n2cc(C3CC3)nn2)C(C)(C)C)C1
InChIInChI=1S/C24H37FN6O4/c1-14(2)21(34)29-12-24(25,13-29)11-26-20(33)18-8-16(32)9-30(18)22(35)19(23(3,4)5)31-10-17(27-28-31)15-6-7-15/h10,14-16,18-19,32H,6-9,11-13H2,1-5H3,(H,26,33)/t16-,18+,19-/m1/s1
InChIKeySIZDCHMKCFYJIN-NZSAHSFTSA-N
MW492.60 g/mol
LogP1.03
Rot. Bonds7

About (2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide

(2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 146151527) has the molecular formula C24H37FN6O4 and a molecular weight of 492.60 g/mol. Its IUPAC name is (2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID146151527
Molecular FormulaC24H37FN6O4
Molecular Weight492.60 g/mol
Exact Mass492.29
IUPAC Name(2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N1CC(F)(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](n2cc(C3CC3)nn2)C(C)(C)C)C1
InChIInChI=1S/C24H37FN6O4/c1-14(2)21(34)29-12-24(25,13-29)11-26-20(33)18-8-16(32)9-30(18)22(35)19(23(3,4)5)31-10-17(27-28-31)15-6-7-15/h10,14-16,18-19,32H,6-9,11-13H2,1-5H3,(H,26,33)/t16-,18+,19-/m1/s1
InChIKeySIZDCHMKCFYJIN-NZSAHSFTSA-N
XLogP1.03
TPSA120.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide with MolForge

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Related Compounds

1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 175466290
tert-butyl 2-[[[(2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]methyl]-4,4-difluoro-2-methylpyrrolidine-1-carboxylate
CID 146151563
1-[(2R)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[(2,2-difluorospiro[2.4]heptan-1-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 175941679
(2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide
CID 146151089
1-[(2S)-2-[4-(4,4-difluorocyclohexyl)triazol-1-yl]-3,3-dimethylbutanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 175465994
1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[2-(pyridin-4-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 175466612
(2S,4R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 163387074
1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 175445039
(2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 146150829
(2S,4R)-N-[(1-benzyl-2-methylpyrrolidin-2-yl)methyl]-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 146151266
N-[3,3-bis(hydroxymethyl)cyclobutyl]-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 169069046
1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-[(5-oxo-2-phenylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide
CID 175465886

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide (CID 146151527) is (2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide is CC(C)C(=O)N1CC(F)(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](n2cc(C3CC3)nn2)C(C)(C)C)C1.
What is the InChIKey of (2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is SIZDCHMKCFYJIN-NZSAHSFTSA-N. The full InChI is InChI=1S/C24H37FN6O4/c1-14(2)21(34)29-12-24(25,13-29)11-26-20(33)18-8-16(32)9-30(18)22(35)19(23(3,4)5)31-10-17(27-28-31)15-6-7-15/h10,14-16,18-19,32H,6-9,11-13H2,1-5H3,(H,26,33)/t16-,18+,19-/m1/s1.
What are the key properties of (2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
(2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 492.60 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[(2S)-2-(4-cyclopropyltriazol-1-yl)-3,3-dimethylbutanoyl]-N-[[3-fluoro-1-(2-methylpropanoyl)azetidin-3-yl]methyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 146151527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).