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

C22H25FN6O — CID 146202512

IUPAC7-[[1-[3-(4-fluorophenyl)propyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCc1nc(NCc2cnn(CCCc3ccc(F)cc3)c2)cc2c1NC(=O)CN2C
InChIInChI=1S/C22H25FN6O/c1-15-22-19(28(2)14-21(30)27-22)10-20(26-15)24-11-17-12-25-29(13-17)9-3-4-16-5-7-18(23)8-6-16/h5-8,10,12-13H,3-4,9,11,14H2,1-2H3,(H,24,26)(H,27,30)
InChIKeyOSWBCDBMHNJTBS-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.36
Rot. Bonds7

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

7-[[1-[3-(4-fluorophenyl)propyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one (PubChem CID 146202512) has the molecular formula C22H25FN6O and a molecular weight of 408.48 g/mol. Its IUPAC name is 7-[[1-[3-(4-fluorophenyl)propyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name7-[[1-[3-(4-fluorophenyl)propyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
PubChem CID146202512
Molecular FormulaC22H25FN6O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC Name7-[[1-[3-(4-fluorophenyl)propyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCc1nc(NCc2cnn(CCCc3ccc(F)cc3)c2)cc2c1NC(=O)CN2C
InChIInChI=1S/C22H25FN6O/c1-15-22-19(28(2)14-21(30)27-22)10-20(26-15)24-11-17-12-25-29(13-17)9-3-4-16-5-7-18(23)8-6-16/h5-8,10,12-13H,3-4,9,11,14H2,1-2H3,(H,24,26)(H,27,30)
InChIKeyOSWBCDBMHNJTBS-UHFFFAOYSA-N
XLogP3.36
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[1-[3-(4-fluorophenyl)propyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 7-[[1-[3-(4-fluorophenyl)propyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one (CID 146202512) is 7-[[1-[3-(4-fluorophenyl)propyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 7-[[1-[3-(4-fluorophenyl)propyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 7-[[1-[3-(4-fluorophenyl)propyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one is Cc1nc(NCc2cnn(CCCc3ccc(F)cc3)c2)cc2c1NC(=O)CN2C.
What is the InChIKey of 7-[[1-[3-(4-fluorophenyl)propyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The InChIKey is OSWBCDBMHNJTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O/c1-15-22-19(28(2)14-21(30)27-22)10-20(26-15)24-11-17-12-25-29(13-17)9-3-4-16-5-7-18(23)8-6-16/h5-8,10,12-13H,3-4,9,11,14H2,1-2H3,(H,24,26)(H,27,30).
What are the key properties of 7-[[1-[3-(4-fluorophenyl)propyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
7-[[1-[3-(4-fluorophenyl)propyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one has a molecular weight of 408.48 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-[3-(4-fluorophenyl)propyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 146202512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).