1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C24H26F3N5O4 — CID 46207154

IUPAC1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cc(C(F)(F)F)nn3C)c2)o1)C(C)C
InChIInChI=1S/C24H26F3N5O4/c1-13(2)20(23(35)28-3)30-22(34)18-9-8-17(36-18)15-7-5-6-14(10-15)12-29-21(33)16-11-19(24(25,26)27)31-32(16)4/h5-11,13,20H,12H2,1-4H3,(H,28,35)(H,29,33)(H,30,34)/t20-/m0/s1
InChIKeyQNEAONUALYTQGU-FQEVSTJZSA-N
MW505.50 g/mol
LogP3.13
Rot. Bonds8

About 1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 46207154) has the molecular formula C24H26F3N5O4 and a molecular weight of 505.50 g/mol. Its IUPAC name is 1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID46207154
Molecular FormulaC24H26F3N5O4
Molecular Weight505.50 g/mol
Exact Mass505.19
IUPAC Name1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cc(C(F)(F)F)nn3C)c2)o1)C(C)C
InChIInChI=1S/C24H26F3N5O4/c1-13(2)20(23(35)28-3)30-22(34)18-9-8-17(36-18)15-7-5-6-14(10-15)12-29-21(33)16-11-19(24(25,26)27)31-32(16)4/h5-11,13,20H,12H2,1-4H3,(H,28,35)(H,29,33)(H,30,34)/t20-/m0/s1
InChIKeyQNEAONUALYTQGU-FQEVSTJZSA-N
XLogP3.13
TPSA118.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.50
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-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 1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 46207154) is 1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cc(C(F)(F)F)nn3C)c2)o1)C(C)C.
What is the InChIKey of 1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is QNEAONUALYTQGU-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H26F3N5O4/c1-13(2)20(23(35)28-3)30-22(34)18-9-8-17(36-18)15-7-5-6-14(10-15)12-29-21(33)16-11-19(24(25,26)27)31-32(16)4/h5-11,13,20H,12H2,1-4H3,(H,28,35)(H,29,33)(H,30,34)/t20-/m0/s1.
What are the key properties of 1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 505.50 g/mol, XLogP of 3.13, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 46207154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).