7-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one

C20H21FN6O — CID 146202387

IUPAC7-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCc1nc(NCc2cnn(Cc3ccc(F)cc3)c2)cc2c1NC(=O)CN2C
InChIInChI=1S/C20H21FN6O/c1-13-20-17(26(2)12-19(28)25-20)7-18(24-13)22-8-15-9-23-27(11-15)10-14-3-5-16(21)6-4-14/h3-7,9,11H,8,10,12H2,1-2H3,(H,22,24)(H,25,28)
InChIKeyLCILRFUAOFEGLG-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.77
Rot. Bonds5

About 7-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one

7-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one (PubChem CID 146202387) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is 7-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name7-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
PubChem CID146202387
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name7-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCc1nc(NCc2cnn(Cc3ccc(F)cc3)c2)cc2c1NC(=O)CN2C
InChIInChI=1S/C20H21FN6O/c1-13-20-17(26(2)12-19(28)25-20)7-18(24-13)22-8-15-9-23-27(11-15)10-14-3-5-16(21)6-4-14/h3-7,9,11H,8,10,12H2,1-2H3,(H,22,24)(H,25,28)
InChIKeyLCILRFUAOFEGLG-UHFFFAOYSA-N
XLogP2.77
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 7-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one (CID 146202387) is 7-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 7-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 7-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one is Cc1nc(NCc2cnn(Cc3ccc(F)cc3)c2)cc2c1NC(=O)CN2C.
What is the InChIKey of 7-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The InChIKey is LCILRFUAOFEGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O/c1-13-20-17(26(2)12-19(28)25-20)7-18(24-13)22-8-15-9-23-27(11-15)10-14-3-5-16(21)6-4-14/h3-7,9,11H,8,10,12H2,1-2H3,(H,22,24)(H,25,28).
What are the key properties of 7-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
7-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one has a molecular weight of 380.43 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 146202387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).