(4S)-5-(5-methyl-2-pyridinyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,4-dihydropyrazole-2-carboxamide

C21H21F3N6O3 — CID 170318723

IUPAC(4S)-5-(5-methyl-2-pyridinyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCc1ccc(C2=NN(C(=O)NC(C)c3ccc(C(F)(F)F)nc3)C[C@@H]2N2CCOC2=O)nc1
InChIInChI=1S/C21H21F3N6O3/c1-12-3-5-15(25-9-12)18-16(29-7-8-33-20(29)32)11-30(28-18)19(31)27-13(2)14-4-6-17(26-10-14)21(22,23)24/h3-6,9-10,13,16H,7-8,11H2,1-2H3,(H,27,31)/t13?,16-/m0/s1
InChIKeyGSVXRTLIWLTURY-VYIIXAMBSA-N
MW462.43 g/mol
LogP3.12
Rot. Bonds4

About (4S)-5-(5-methyl-2-pyridinyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,4-dihydropyrazole-2-carboxamide

(4S)-5-(5-methyl-2-pyridinyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,4-dihydropyrazole-2-carboxamide (PubChem CID 170318723) has the molecular formula C21H21F3N6O3 and a molecular weight of 462.43 g/mol. Its IUPAC name is (4S)-5-(5-methyl-2-pyridinyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name(4S)-5-(5-methyl-2-pyridinyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,4-dihydropyrazole-2-carboxamide
PubChem CID170318723
Molecular FormulaC21H21F3N6O3
Molecular Weight462.43 g/mol
Exact Mass462.16
IUPAC Name(4S)-5-(5-methyl-2-pyridinyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCc1ccc(C2=NN(C(=O)NC(C)c3ccc(C(F)(F)F)nc3)C[C@@H]2N2CCOC2=O)nc1
InChIInChI=1S/C21H21F3N6O3/c1-12-3-5-15(25-9-12)18-16(29-7-8-33-20(29)32)11-30(28-18)19(31)27-13(2)14-4-6-17(26-10-14)21(22,23)24/h3-6,9-10,13,16H,7-8,11H2,1-2H3,(H,27,31)/t13?,16-/m0/s1
InChIKeyGSVXRTLIWLTURY-VYIIXAMBSA-N
XLogP3.12
TPSA100.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-5-(5-methyl-2-pyridinyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,4-dihydropyrazole-2-carboxamide with MolForge

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Related Compounds

(4R)-4-(3-acetyl-2-oxoimidazolidin-1-yl)-5-(4-methylphenyl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,4-dihydropyrazole-2-carboxamide
CID 170318738
N-[(1R)-1-(5,6-difluoro-3-pyridinyl)ethyl]-5-(4-methylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide
CID 175077280
(4S)-N-[(1R)-1-(5,6-difluoro-3-pyridinyl)ethyl]-5-(4-methylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide
CID 155673431
(4R)-5-(4-chlorophenyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide
CID 156783172
(4S)-5-(4-methylphenyl)-N-[1-(5-methylpyrazin-2-yl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carboxamide
CID 175069127
(4R)-5-(4-methylphenyl)-4-(3-oxomorpholin-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrazole-2-carboxamide
CID 156783160
5-(4-methylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydropyrazole-2-carbonyl chloride
CID 167170730
methyl N-[(4S)-5-[4-(hydroxymethyl)phenyl]-2-[[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamoyl]-3,4-dihydropyrazol-4-yl]-N-methylcarbamate
CID 170369293
(4R)-4-(4-acetylpiperazin-1-yl)-5-(4-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-3,4-dihydropyrazole-2-carboxamide
CID 156783146
N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
CID 68813957
(4R)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-(4-methylphenyl)-4-(3-oxomorpholin-4-yl)-3,4-dihydropyrazole-2-carboxamide
CID 170318744
(4R)-N-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-5-(4-methylphenyl)-4-(3-oxomorpholin-4-yl)-3,4-dihydropyrazole-2-carboxamide
CID 167170746

Frequently Asked Questions

What is the IUPAC name of (4S)-5-(5-methyl-2-pyridinyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of (4S)-5-(5-methyl-2-pyridinyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,4-dihydropyrazole-2-carboxamide (CID 170318723) is (4S)-5-(5-methyl-2-pyridinyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for (4S)-5-(5-methyl-2-pyridinyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for (4S)-5-(5-methyl-2-pyridinyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,4-dihydropyrazole-2-carboxamide is Cc1ccc(C2=NN(C(=O)NC(C)c3ccc(C(F)(F)F)nc3)C[C@@H]2N2CCOC2=O)nc1.
What is the InChIKey of (4S)-5-(5-methyl-2-pyridinyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is GSVXRTLIWLTURY-VYIIXAMBSA-N. The full InChI is InChI=1S/C21H21F3N6O3/c1-12-3-5-15(25-9-12)18-16(29-7-8-33-20(29)32)11-30(28-18)19(31)27-13(2)14-4-6-17(26-10-14)21(22,23)24/h3-6,9-10,13,16H,7-8,11H2,1-2H3,(H,27,31)/t13?,16-/m0/s1.
What are the key properties of (4S)-5-(5-methyl-2-pyridinyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,4-dihydropyrazole-2-carboxamide?
(4S)-5-(5-methyl-2-pyridinyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 462.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-(5-methyl-2-pyridinyl)-4-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 170318723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).