4-fluoro-N-[5-[[(1,4,5-trimethyl-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl)amino]methyl]-2-pyridinyl]benzamide

C23H23FN6O2 — CID 167339572

IUPAC4-fluoro-N-[5-[[(1,4,5-trimethyl-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl)amino]methyl]-2-pyridinyl]benzamide
SMILESCc1nc(NCc2ccc(NC(=O)c3ccc(F)cc3)nc2)cc2c1N(C)C(=O)CN2C
InChIInChI=1S/C23H23FN6O2/c1-14-22-18(29(2)13-21(31)30(22)3)10-20(27-14)26-12-15-4-9-19(25-11-15)28-23(32)16-5-7-17(24)8-6-16/h4-11H,12-13H2,1-3H3,(H,26,27)(H,25,28,32)
InChIKeyDBRGARWPCIAQFO-UHFFFAOYSA-N
MW434.48 g/mol
LogP3.20
Rot. Bonds5

About 4-fluoro-N-[5-[[(1,4,5-trimethyl-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl)amino]methyl]-2-pyridinyl]benzamide

4-fluoro-N-[5-[[(1,4,5-trimethyl-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl)amino]methyl]-2-pyridinyl]benzamide (PubChem CID 167339572) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is 4-fluoro-N-[5-[[(1,4,5-trimethyl-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl)amino]methyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[5-[[(1,4,5-trimethyl-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl)amino]methyl]-2-pyridinyl]benzamide
PubChem CID167339572
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name4-fluoro-N-[5-[[(1,4,5-trimethyl-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl)amino]methyl]-2-pyridinyl]benzamide
SMILESCc1nc(NCc2ccc(NC(=O)c3ccc(F)cc3)nc2)cc2c1N(C)C(=O)CN2C
InChIInChI=1S/C23H23FN6O2/c1-14-22-18(29(2)13-21(31)30(22)3)10-20(27-14)26-12-15-4-9-19(25-11-15)28-23(32)16-5-7-17(24)8-6-16/h4-11H,12-13H2,1-3H3,(H,26,27)(H,25,28,32)
InChIKeyDBRGARWPCIAQFO-UHFFFAOYSA-N
XLogP3.20
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-N-[5-[[(1,4,5-trimethyl-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl)amino]methyl]-2-pyridinyl]benzamide with MolForge

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Related Compounds

4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011762
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide
CID 113012110
N-(4-chloro-2-methylphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156635
N-(4-fluorophenyl)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzamide
CID 133404406
4-fluoro-N-[4-[[[(7S)-7-hydroxy-5,7,8-trimethyl-6-oxopteridin-2-yl]amino]methyl]phenyl]benzamide
CID 166645268
4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011759
4-[[(4,5-dimethyl-6-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-2-yl)amino]methyl]-N-(4-fluorophenyl)benzamide
CID 146203424
4-chloro-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027275
methyl 2-[[6-[(4-fluorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156658
ethyl 4-[[6-[(4-fluorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156667
(2S)-7-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]-1,2,5-trimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 146202888
N-(5-chloro-2-methoxyphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156639

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-[[(1,4,5-trimethyl-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl)amino]methyl]-2-pyridinyl]benzamide?
The IUPAC name of 4-fluoro-N-[5-[[(1,4,5-trimethyl-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl)amino]methyl]-2-pyridinyl]benzamide (CID 167339572) is 4-fluoro-N-[5-[[(1,4,5-trimethyl-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl)amino]methyl]-2-pyridinyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[5-[[(1,4,5-trimethyl-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl)amino]methyl]-2-pyridinyl]benzamide?
The canonical SMILES for 4-fluoro-N-[5-[[(1,4,5-trimethyl-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl)amino]methyl]-2-pyridinyl]benzamide is Cc1nc(NCc2ccc(NC(=O)c3ccc(F)cc3)nc2)cc2c1N(C)C(=O)CN2C.
What is the InChIKey of 4-fluoro-N-[5-[[(1,4,5-trimethyl-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl)amino]methyl]-2-pyridinyl]benzamide?
The InChIKey is DBRGARWPCIAQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-14-22-18(29(2)13-21(31)30(22)3)10-20(27-14)26-12-15-4-9-19(25-11-15)28-23(32)16-5-7-17(24)8-6-16/h4-11H,12-13H2,1-3H3,(H,26,27)(H,25,28,32).
What are the key properties of 4-fluoro-N-[5-[[(1,4,5-trimethyl-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl)amino]methyl]-2-pyridinyl]benzamide?
4-fluoro-N-[5-[[(1,4,5-trimethyl-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl)amino]methyl]-2-pyridinyl]benzamide has a molecular weight of 434.48 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-[[(1,4,5-trimethyl-3-oxo-2H-pyrido[3,4-b]pyrazin-7-yl)amino]methyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 167339572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).