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

C19H20FN7O — CID 146202740

IUPAC7-[[1-[(5-fluoro-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCc1nc(NCc2cnn(Cc3cncc(F)c3)c2)cc2c1NC(=O)CN2C
InChIInChI=1S/C19H20FN7O/c1-12-19-16(26(2)11-18(28)25-19)4-17(24-12)22-6-14-7-23-27(10-14)9-13-3-15(20)8-21-5-13/h3-5,7-8,10H,6,9,11H2,1-2H3,(H,22,24)(H,25,28)
InChIKeyXCTTVTOYJYAFHZ-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.17
Rot. Bonds5

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

7-[[1-[(5-fluoro-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one (PubChem CID 146202740) has the molecular formula C19H20FN7O and a molecular weight of 381.42 g/mol. Its IUPAC name is 7-[[1-[(5-fluoro-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name7-[[1-[(5-fluoro-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
PubChem CID146202740
Molecular FormulaC19H20FN7O
Molecular Weight381.42 g/mol
Exact Mass381.17
IUPAC Name7-[[1-[(5-fluoro-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCc1nc(NCc2cnn(Cc3cncc(F)c3)c2)cc2c1NC(=O)CN2C
InChIInChI=1S/C19H20FN7O/c1-12-19-16(26(2)11-18(28)25-19)4-17(24-12)22-6-14-7-23-27(10-14)9-13-3-15(20)8-21-5-13/h3-5,7-8,10H,6,9,11H2,1-2H3,(H,22,24)(H,25,28)
InChIKeyXCTTVTOYJYAFHZ-UHFFFAOYSA-N
XLogP2.17
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[[1-[(5-fluoro-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one with MolForge

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Related Compounds

7-[[1-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 146202798
7-[[1-[(6-tert-butyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 146203186
(2S)-2-cyclopropyl-7-[[1-[(5-fluoro-6-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 153444537
(2S)-7-[[1-[(6-fluoro-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,2,5-trimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane
CID 167632276
7-[[1-[(6-fluoro-4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 146203333
(2S)-1,2,5-trimethyl-7-[[1-[(2,3,4-trifluorophenyl)methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 146202588
2-[[1-[(5-methoxy-6-propan-2-yloxy-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one
CID 146203169
(2S)-7-[[1-[(3-fluoro-4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-2-[(1R)-1-methoxyethyl]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 146202806
(2S)-7-[[1-[(5-fluoro-2-methyl-4-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 153444741
(2S)-7-[[1-[(5-fluoro-6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one;methane
CID 167611725
(2S)-7-[[1-[(4,5-difluoro-2-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-2-[(1R)-1-methoxyethyl]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 146203165
(2S)-7-[[1-[(2,3-difluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-2-[(1R)-1-methoxyethyl]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 153444585

Frequently Asked Questions

What is the IUPAC name of 7-[[1-[(5-fluoro-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 7-[[1-[(5-fluoro-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one (CID 146202740) is 7-[[1-[(5-fluoro-3-pyridinyl)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-[(5-fluoro-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 7-[[1-[(5-fluoro-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one is Cc1nc(NCc2cnn(Cc3cncc(F)c3)c2)cc2c1NC(=O)CN2C.
What is the InChIKey of 7-[[1-[(5-fluoro-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The InChIKey is XCTTVTOYJYAFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O/c1-12-19-16(26(2)11-18(28)25-19)4-17(24-12)22-6-14-7-23-27(10-14)9-13-3-15(20)8-21-5-13/h3-5,7-8,10H,6,9,11H2,1-2H3,(H,22,24)(H,25,28).
What are the key properties of 7-[[1-[(5-fluoro-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
7-[[1-[(5-fluoro-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one has a molecular weight of 381.42 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-[(5-fluoro-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 146202740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).