N-[(3S)-1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide

C24H23ClF3N5O — CID 143313759

IUPACN-[(3S)-1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H]1CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)C1
InChIInChI=1S/C24H23ClF3N5O/c1-14(2)23(34)31-17-8-10-33(13-17)20-12-30-21(15-3-5-16(6-4-15)24(26,27)28)22(32-20)18-7-9-29-11-19(18)25/h3-7,9,11-12,14,17H,8,10,13H2,1-2H3,(H,31,34)/t17-/m0/s1
InChIKeyVUWFOLAVUCAGCK-KRWDZBQOSA-N
MW489.93 g/mol
LogP5.23
Rot. Bonds5

About N-[(3S)-1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide

N-[(3S)-1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide (PubChem CID 143313759) has the molecular formula C24H23ClF3N5O and a molecular weight of 489.93 g/mol. Its IUPAC name is N-[(3S)-1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3S)-1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide
PubChem CID143313759
Molecular FormulaC24H23ClF3N5O
Molecular Weight489.93 g/mol
Exact Mass489.15
IUPAC NameN-[(3S)-1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H]1CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)C1
InChIInChI=1S/C24H23ClF3N5O/c1-14(2)23(34)31-17-8-10-33(13-17)20-12-30-21(15-3-5-16(6-4-15)24(26,27)28)22(32-20)18-7-9-29-11-19(18)25/h3-7,9,11-12,14,17H,8,10,13H2,1-2H3,(H,31,34)/t17-/m0/s1
InChIKeyVUWFOLAVUCAGCK-KRWDZBQOSA-N
XLogP5.23
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.93
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

Pyrazine-Pyridine Biheteroaryl 46
CID 5330374
3-(4-Chloro-phenyl)-N-[2-(1H-imidazol-4-yl)-ethyl]-N-methyl-3-pyridin-2-yl-propionamide
CID 10270424
N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)isobutyramide
CID 24857903
Pyrazine-Pyridine Biheteroaryl 62
CID 5330393
1-(5-(4-Chlorophenyl)-6-(2-chloropyridin-4-yl)pyrazin-2-yl)-4-(ethylamino)piperidine-4-carboxamide
CID 44576685
1-(6-(2-Chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)-4-(ethylamino)piperidine-4-carboxamide
CID 44576686
N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)propionamide
CID 44576717
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-isopropyl-phenyl)-amide
CID 9946897
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-sec-butyl-phenyl)-amide
CID 10126339
2-[6-Chloro-3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-N-(2-imidazol-1-yl-benzyl)-acetamide
CID 10185355
3-(4-Chloro-phenyl)-N-[4-(1H-imidazol-4-yl)-butyl]-N-methyl-3-pyridin-2-yl-propionamide
CID 10222417
8-[2-chloro-4-(trifluoromethyl)phenyl]-4-[(1S)-1-cyclopropylpropyl]-2-methylpyrido[2,3-b]pyrazin-3-one
CID 10454889

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[(3S)-1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide (CID 143313759) is N-[(3S)-1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(3S)-1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[(3S)-1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide is CC(C)C(=O)N[C@H]1CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)C1.
What is the InChIKey of N-[(3S)-1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide?
The InChIKey is VUWFOLAVUCAGCK-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H23ClF3N5O/c1-14(2)23(34)31-17-8-10-33(13-17)20-12-30-21(15-3-5-16(6-4-15)24(26,27)28)22(32-20)18-7-9-29-11-19(18)25/h3-7,9,11-12,14,17H,8,10,13H2,1-2H3,(H,31,34)/t17-/m0/s1.
What are the key properties of N-[(3S)-1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide?
N-[(3S)-1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide has a molecular weight of 489.93 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 143313759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).