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

C21H23FN6O — CID 146202520

IUPAC7-[[1-[2-(4-fluorophenyl)ethyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCc1nc(NCc2cnn(CCc3ccc(F)cc3)c2)cc2c1NC(=O)CN2C
InChIInChI=1S/C21H23FN6O/c1-14-21-18(27(2)13-20(29)26-21)9-19(25-14)23-10-16-11-24-28(12-16)8-7-15-3-5-17(22)6-4-15/h3-6,9,11-12H,7-8,10,13H2,1-2H3,(H,23,25)(H,26,29)
InChIKeyFRFKYICDGHOILM-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.97
Rot. Bonds6

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

7-[[1-[2-(4-fluorophenyl)ethyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one (PubChem CID 146202520) has the molecular formula C21H23FN6O and a molecular weight of 394.45 g/mol. Its IUPAC name is 7-[[1-[2-(4-fluorophenyl)ethyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name7-[[1-[2-(4-fluorophenyl)ethyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
PubChem CID146202520
Molecular FormulaC21H23FN6O
Molecular Weight394.45 g/mol
Exact Mass394.19
IUPAC Name7-[[1-[2-(4-fluorophenyl)ethyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCc1nc(NCc2cnn(CCc3ccc(F)cc3)c2)cc2c1NC(=O)CN2C
InChIInChI=1S/C21H23FN6O/c1-14-21-18(27(2)13-20(29)26-21)9-19(25-14)23-10-16-11-24-28(12-16)8-7-15-3-5-17(22)6-4-15/h3-6,9,11-12H,7-8,10,13H2,1-2H3,(H,23,25)(H,26,29)
InChIKeyFRFKYICDGHOILM-UHFFFAOYSA-N
XLogP2.97
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[1-[2-(4-fluorophenyl)ethyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 7-[[1-[2-(4-fluorophenyl)ethyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one (CID 146202520) is 7-[[1-[2-(4-fluorophenyl)ethyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 7-[[1-[2-(4-fluorophenyl)ethyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 7-[[1-[2-(4-fluorophenyl)ethyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one is Cc1nc(NCc2cnn(CCc3ccc(F)cc3)c2)cc2c1NC(=O)CN2C.
What is the InChIKey of 7-[[1-[2-(4-fluorophenyl)ethyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The InChIKey is FRFKYICDGHOILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O/c1-14-21-18(27(2)13-20(29)26-21)9-19(25-14)23-10-16-11-24-28(12-16)8-7-15-3-5-17(22)6-4-15/h3-6,9,11-12H,7-8,10,13H2,1-2H3,(H,23,25)(H,26,29).
What are the key properties of 7-[[1-[2-(4-fluorophenyl)ethyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
7-[[1-[2-(4-fluorophenyl)ethyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one has a molecular weight of 394.45 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-[2-(4-fluorophenyl)ethyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 146202520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).