1,5-dimethyl-2-propan-2-yl-7-[[1-(3,4,5-trifluorobenzoyl)piperidin-4-yl]amino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one

C24H28F3N5O2 — CID 146203655

IUPAC1,5-dimethyl-2-propan-2-yl-7-[[1-(3,4,5-trifluorobenzoyl)piperidin-4-yl]amino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCc1nc(NC2CCN(C(=O)c3cc(F)c(F)c(F)c3)CC2)cc2c1NC(=O)C(C(C)C)N2C
InChIInChI=1S/C24H28F3N5O2/c1-12(2)22-23(33)30-21-13(3)28-19(11-18(21)31(22)4)29-15-5-7-32(8-6-15)24(34)14-9-16(25)20(27)17(26)10-14/h9-12,15,22H,5-8H2,1-4H3,(H,28,29)(H,30,33)
InChIKeyVQTDBRNBESMGHQ-UHFFFAOYSA-N
MW475.52 g/mol
LogP3.94
Rot. Bonds4

About 1,5-dimethyl-2-propan-2-yl-7-[[1-(3,4,5-trifluorobenzoyl)piperidin-4-yl]amino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one

1,5-dimethyl-2-propan-2-yl-7-[[1-(3,4,5-trifluorobenzoyl)piperidin-4-yl]amino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one (PubChem CID 146203655) has the molecular formula C24H28F3N5O2 and a molecular weight of 475.52 g/mol. Its IUPAC name is 1,5-dimethyl-2-propan-2-yl-7-[[1-(3,4,5-trifluorobenzoyl)piperidin-4-yl]amino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name1,5-dimethyl-2-propan-2-yl-7-[[1-(3,4,5-trifluorobenzoyl)piperidin-4-yl]amino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one
PubChem CID146203655
Molecular FormulaC24H28F3N5O2
Molecular Weight475.52 g/mol
Exact Mass475.22
IUPAC Name1,5-dimethyl-2-propan-2-yl-7-[[1-(3,4,5-trifluorobenzoyl)piperidin-4-yl]amino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCc1nc(NC2CCN(C(=O)c3cc(F)c(F)c(F)c3)CC2)cc2c1NC(=O)C(C(C)C)N2C
InChIInChI=1S/C24H28F3N5O2/c1-12(2)22-23(33)30-21-13(3)28-19(11-18(21)31(22)4)29-15-5-7-32(8-6-15)24(34)14-9-16(25)20(27)17(26)10-14/h9-12,15,22H,5-8H2,1-4H3,(H,28,29)(H,30,33)
InChIKeyVQTDBRNBESMGHQ-UHFFFAOYSA-N
XLogP3.94
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,5-dimethyl-2-propan-2-yl-7-[[1-(3,4,5-trifluorobenzoyl)azetidin-3-yl]amino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 146202728
4,8-dimethyl-7-propan-2-yl-2-[[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]amino]-5,7-dihydropteridin-6-one
CID 146194931
[4-[(2-fluoro-6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone
CID 126840338
(4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63189041
(7S)-4,8-dimethyl-7-propan-2-yl-2-[[3-[(3,4,5-trifluorophenyl)methylamino]cyclobutyl]methyl]-5,7-dihydropteridin-6-one
CID 160841553
N-[4-[[(7S)-4,7-dimethyl-6-oxo-7,8-dihydro-5H-pteridin-2-yl]amino]cyclohexyl]-3,4,5-trifluorobenzamide
CID 146203360
(7S)-2-(azetidin-3-ylamino)-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one;2,2,2-trifluoroacetic acid
CID 146195001
(4-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63188938
[4-[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylphenyl)methanone
CID 86285676
(4-cyclopropylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63188677
[4-(1-chloroethyl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 106838877
[4-(ethylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 80550856

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-propan-2-yl-7-[[1-(3,4,5-trifluorobenzoyl)piperidin-4-yl]amino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 1,5-dimethyl-2-propan-2-yl-7-[[1-(3,4,5-trifluorobenzoyl)piperidin-4-yl]amino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one (CID 146203655) is 1,5-dimethyl-2-propan-2-yl-7-[[1-(3,4,5-trifluorobenzoyl)piperidin-4-yl]amino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 1,5-dimethyl-2-propan-2-yl-7-[[1-(3,4,5-trifluorobenzoyl)piperidin-4-yl]amino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 1,5-dimethyl-2-propan-2-yl-7-[[1-(3,4,5-trifluorobenzoyl)piperidin-4-yl]amino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one is Cc1nc(NC2CCN(C(=O)c3cc(F)c(F)c(F)c3)CC2)cc2c1NC(=O)C(C(C)C)N2C.
What is the InChIKey of 1,5-dimethyl-2-propan-2-yl-7-[[1-(3,4,5-trifluorobenzoyl)piperidin-4-yl]amino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The InChIKey is VQTDBRNBESMGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O2/c1-12(2)22-23(33)30-21-13(3)28-19(11-18(21)31(22)4)29-15-5-7-32(8-6-15)24(34)14-9-16(25)20(27)17(26)10-14/h9-12,15,22H,5-8H2,1-4H3,(H,28,29)(H,30,33).
What are the key properties of 1,5-dimethyl-2-propan-2-yl-7-[[1-(3,4,5-trifluorobenzoyl)piperidin-4-yl]amino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
1,5-dimethyl-2-propan-2-yl-7-[[1-(3,4,5-trifluorobenzoyl)piperidin-4-yl]amino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one has a molecular weight of 475.52 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-propan-2-yl-7-[[1-(3,4,5-trifluorobenzoyl)piperidin-4-yl]amino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 146203655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).