N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-imidazole-5-carboxamide

C20H28F3N5O4 — CID 21033975

IUPACN-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-imidazole-5-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C20H28F3N5O4/c1-10(2)14(16(29)20(21,22)23)26-18(31)13-6-5-7-28(13)19(32)15(11(3)4)27-17(30)12-8-24-9-25-12/h8-11,13-15H,5-7H2,1-4H3,(H,24,25)(H,26,31)(H,27,30)/t13-,14-,15-/m0/s1
InChIKeyMCPMMRQMCVBHTC-KKUMJFAQSA-N
MW459.47 g/mol
LogP1.43
Rot. Bonds8

About N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-imidazole-5-carboxamide

N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-imidazole-5-carboxamide (PubChem CID 21033975) has the molecular formula C20H28F3N5O4 and a molecular weight of 459.47 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-imidazole-5-carboxamide
PubChem CID21033975
Molecular FormulaC20H28F3N5O4
Molecular Weight459.47 g/mol
Exact Mass459.21
IUPAC NameN-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-imidazole-5-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C20H28F3N5O4/c1-10(2)14(16(29)20(21,22)23)26-18(31)13-6-5-7-28(13)19(32)15(11(3)4)27-17(30)12-8-24-9-25-12/h8-11,13-15H,5-7H2,1-4H3,(H,24,25)(H,26,31)(H,27,30)/t13-,14-,15-/m0/s1
InChIKeyMCPMMRQMCVBHTC-KKUMJFAQSA-N
XLogP1.43
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-imidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-imidazole-5-carboxamide (CID 21033975) is N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-imidazole-5-carboxamide is CC(C)[C@H](NC(=O)c1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C.
What is the InChIKey of N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-imidazole-5-carboxamide?
The InChIKey is MCPMMRQMCVBHTC-KKUMJFAQSA-N. The full InChI is InChI=1S/C20H28F3N5O4/c1-10(2)14(16(29)20(21,22)23)26-18(31)13-6-5-7-28(13)19(32)15(11(3)4)27-17(30)12-8-24-9-25-12/h8-11,13-15H,5-7H2,1-4H3,(H,24,25)(H,26,31)(H,27,30)/t13-,14-,15-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-imidazole-5-carboxamide?
N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-imidazole-5-carboxamide has a molecular weight of 459.47 g/mol, XLogP of 1.43, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 21033975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).