N-[(4S)-6-fluoro-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-8-yl]-4-methylpyridine-3-carboxamide

C22H18F4N4O2 — CID 142336895

IUPACN-[(4S)-6-fluoro-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-8-yl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cc(F)n2c1C(=O)N(c1ccc(C(F)(F)F)cc1)C[C@@H]2C
InChIInChI=1S/C22H18F4N4O2/c1-12-7-8-27-10-16(12)20(31)28-17-9-18(23)30-13(2)11-29(21(32)19(17)30)15-5-3-14(4-6-15)22(24,25)26/h3-10,13H,11H2,1-2H3,(H,28,31)/t13-/m0/s1
InChIKeyVQBGAYRFRRABEJ-ZDUSSCGKSA-N
MW446.40 g/mol
LogP4.82
Rot. Bonds3

About N-[(4S)-6-fluoro-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-8-yl]-4-methylpyridine-3-carboxamide

N-[(4S)-6-fluoro-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-8-yl]-4-methylpyridine-3-carboxamide (PubChem CID 142336895) has the molecular formula C22H18F4N4O2 and a molecular weight of 446.40 g/mol. Its IUPAC name is N-[(4S)-6-fluoro-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-8-yl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4S)-6-fluoro-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-8-yl]-4-methylpyridine-3-carboxamide
PubChem CID142336895
Molecular FormulaC22H18F4N4O2
Molecular Weight446.40 g/mol
Exact Mass446.14
IUPAC NameN-[(4S)-6-fluoro-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-8-yl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cc(F)n2c1C(=O)N(c1ccc(C(F)(F)F)cc1)C[C@@H]2C
InChIInChI=1S/C22H18F4N4O2/c1-12-7-8-27-10-16(12)20(31)28-17-9-18(23)30-13(2)11-29(21(32)19(17)30)15-5-3-14(4-6-15)22(24,25)26/h3-10,13H,11H2,1-2H3,(H,28,31)/t13-/m0/s1
InChIKeyVQBGAYRFRRABEJ-ZDUSSCGKSA-N
XLogP4.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4S)-6-fluoro-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-8-yl]-4-methylpyridine-3-carboxamide 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

(7S)-7-methyl-N-(4-methyl-3-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;sulfane
CID 159328172
N-[(7R)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide
CID 118693814
4-methyl-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 118693704
(4S)-4-methyl-N-(2-methyl-3-pyridinyl)-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
CID 142336701
4-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860907
N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 118693863
(4R)-4-amino-6-methyl-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
CID 142336682
2-(methylamino)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide
CID 118693774
N-[(4S)-2-(4-chloro-3-methoxyphenyl)-4-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-8-yl]-4-methylpyridine-3-carboxamide
CID 142336786
2-fluoro-3-methoxy-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 118693712
N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]-1,3-oxazole-2-carboxamide
CID 118693869
3-fluoro-4-methoxy-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 118693738

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-6-fluoro-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-8-yl]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[(4S)-6-fluoro-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-8-yl]-4-methylpyridine-3-carboxamide (CID 142336895) is N-[(4S)-6-fluoro-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-8-yl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4S)-6-fluoro-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-8-yl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(4S)-6-fluoro-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-8-yl]-4-methylpyridine-3-carboxamide is Cc1ccncc1C(=O)Nc1cc(F)n2c1C(=O)N(c1ccc(C(F)(F)F)cc1)C[C@@H]2C.
What is the InChIKey of N-[(4S)-6-fluoro-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-8-yl]-4-methylpyridine-3-carboxamide?
The InChIKey is VQBGAYRFRRABEJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H18F4N4O2/c1-12-7-8-27-10-16(12)20(31)28-17-9-18(23)30-13(2)11-29(21(32)19(17)30)15-5-3-14(4-6-15)22(24,25)26/h3-10,13H,11H2,1-2H3,(H,28,31)/t13-/m0/s1.
What are the key properties of N-[(4S)-6-fluoro-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-8-yl]-4-methylpyridine-3-carboxamide?
N-[(4S)-6-fluoro-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-8-yl]-4-methylpyridine-3-carboxamide has a molecular weight of 446.40 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-6-fluoro-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-8-yl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 142336895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).