(4S,9aR)-4-methyl-2-(1-methyl-2-oxo-1,8-naphthyridin-4-yl)-N-(3,4,5-trifluorophenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxamide

C24H25F3N6O2 — CID 155192125

IUPAC(4S,9aR)-4-methyl-2-(1-methyl-2-oxo-1,8-naphthyridin-4-yl)-N-(3,4,5-trifluorophenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxamide
SMILESC[C@H]1CN(c2cc(=O)n(C)c3ncccc23)C[C@@H]2CN(C(=O)Nc3cc(F)c(F)c(F)c3)CCN21
InChIInChI=1S/C24H25F3N6O2/c1-14-11-32(20-10-21(34)30(2)23-17(20)4-3-5-28-23)13-16-12-31(6-7-33(14)16)24(35)29-15-8-18(25)22(27)19(26)9-15/h3-5,8-10,14,16H,6-7,11-13H2,1-2H3,(H,29,35)/t14-,16-/m0/s1
InChIKeyAAQKMKWXCKTKQE-HOCLYGCPSA-N
MW486.50 g/mol
LogP2.78
Rot. Bonds2

About (4S,9aR)-4-methyl-2-(1-methyl-2-oxo-1,8-naphthyridin-4-yl)-N-(3,4,5-trifluorophenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxamide

(4S,9aR)-4-methyl-2-(1-methyl-2-oxo-1,8-naphthyridin-4-yl)-N-(3,4,5-trifluorophenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxamide (PubChem CID 155192125) has the molecular formula C24H25F3N6O2 and a molecular weight of 486.50 g/mol. Its IUPAC name is (4S,9aR)-4-methyl-2-(1-methyl-2-oxo-1,8-naphthyridin-4-yl)-N-(3,4,5-trifluorophenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxamide.

Molecular Properties

Compound Name(4S,9aR)-4-methyl-2-(1-methyl-2-oxo-1,8-naphthyridin-4-yl)-N-(3,4,5-trifluorophenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxamide
PubChem CID155192125
Molecular FormulaC24H25F3N6O2
Molecular Weight486.50 g/mol
Exact Mass486.20
IUPAC Name(4S,9aR)-4-methyl-2-(1-methyl-2-oxo-1,8-naphthyridin-4-yl)-N-(3,4,5-trifluorophenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxamide
SMILESC[C@H]1CN(c2cc(=O)n(C)c3ncccc23)C[C@@H]2CN(C(=O)Nc3cc(F)c(F)c(F)c3)CCN21
InChIInChI=1S/C24H25F3N6O2/c1-14-11-32(20-10-21(34)30(2)23-17(20)4-3-5-28-23)13-16-12-31(6-7-33(14)16)24(35)29-15-8-18(25)22(27)19(26)9-15/h3-5,8-10,14,16H,6-7,11-13H2,1-2H3,(H,29,35)/t14-,16-/m0/s1
InChIKeyAAQKMKWXCKTKQE-HOCLYGCPSA-N
XLogP2.78
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (4S,9aR)-4-methyl-2-(1-methyl-2-oxo-1,8-naphthyridin-4-yl)-N-(3,4,5-trifluorophenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxamide with MolForge

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Related Compounds

tert-butyl 4-[5-methyl-6-[4-methyl-2-(1-methyl-2-oxo-1,8-naphthyridin-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-8-yl]-3-pyridinyl]piperazine-1-carboxylate;ethane
CID 155707998
4-[(4R,10bS)-8-[2-(dimethylamino)ethoxy]-4-methyl-3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindol-2-yl]-1-methyl-1,8-naphthyridin-2-one
CID 164578624
4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
CID 83277226
N-(3,5-dimethoxyphenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83274079
3-(3,4,5-trimethylpiperazin-1-yl)pyridine-2-carboxylic acid
CID 114541181
N-(3-chlorophenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 53019972
N-(3-fluoro-4-methoxyphenyl)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050906
(3R)-3-[5-(trifluoromethyl)pyrazol-1-yl]-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide
CID 97260801
N-(3-fluoro-4-methylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335740
N-(4-carbamoyl-3-fluorophenyl)-4-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide
CID 119046286
N-(4-ethylphenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83274086
N-(3,5-dimethylphenyl)-3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 87054297

Frequently Asked Questions

What is the IUPAC name of (4S,9aR)-4-methyl-2-(1-methyl-2-oxo-1,8-naphthyridin-4-yl)-N-(3,4,5-trifluorophenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxamide?
The IUPAC name of (4S,9aR)-4-methyl-2-(1-methyl-2-oxo-1,8-naphthyridin-4-yl)-N-(3,4,5-trifluorophenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxamide (CID 155192125) is (4S,9aR)-4-methyl-2-(1-methyl-2-oxo-1,8-naphthyridin-4-yl)-N-(3,4,5-trifluorophenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxamide.
What is the SMILES notation for (4S,9aR)-4-methyl-2-(1-methyl-2-oxo-1,8-naphthyridin-4-yl)-N-(3,4,5-trifluorophenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxamide?
The canonical SMILES for (4S,9aR)-4-methyl-2-(1-methyl-2-oxo-1,8-naphthyridin-4-yl)-N-(3,4,5-trifluorophenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxamide is C[C@H]1CN(c2cc(=O)n(C)c3ncccc23)C[C@@H]2CN(C(=O)Nc3cc(F)c(F)c(F)c3)CCN21.
What is the InChIKey of (4S,9aR)-4-methyl-2-(1-methyl-2-oxo-1,8-naphthyridin-4-yl)-N-(3,4,5-trifluorophenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxamide?
The InChIKey is AAQKMKWXCKTKQE-HOCLYGCPSA-N. The full InChI is InChI=1S/C24H25F3N6O2/c1-14-11-32(20-10-21(34)30(2)23-17(20)4-3-5-28-23)13-16-12-31(6-7-33(14)16)24(35)29-15-8-18(25)22(27)19(26)9-15/h3-5,8-10,14,16H,6-7,11-13H2,1-2H3,(H,29,35)/t14-,16-/m0/s1.
What are the key properties of (4S,9aR)-4-methyl-2-(1-methyl-2-oxo-1,8-naphthyridin-4-yl)-N-(3,4,5-trifluorophenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxamide?
(4S,9aR)-4-methyl-2-(1-methyl-2-oxo-1,8-naphthyridin-4-yl)-N-(3,4,5-trifluorophenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxamide has a molecular weight of 486.50 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,9aR)-4-methyl-2-(1-methyl-2-oxo-1,8-naphthyridin-4-yl)-N-(3,4,5-trifluorophenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxamide is sourced from PubChem (CID 155192125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).