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

C20H22FN7O2 — CID 146202798

IUPAC7-[[1-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCOc1ncc(Cn2cc(CNc3cc4c(c(C)n3)NC(=O)CN4C)cn2)cc1F
InChIInChI=1S/C20H22FN7O2/c1-12-19-16(27(2)11-18(29)26-19)5-17(25-12)22-7-14-8-24-28(10-14)9-13-4-15(21)20(30-3)23-6-13/h4-6,8,10H,7,9,11H2,1-3H3,(H,22,25)(H,26,29)
InChIKeyNXBLOEBRTIHYAF-UHFFFAOYSA-N
MW411.44 g/mol
LogP2.18
Rot. Bonds6

About 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

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 (PubChem CID 146202798) has the molecular formula C20H22FN7O2 and a molecular weight of 411.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[[1-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
PubChem CID146202798
Molecular FormulaC20H22FN7O2
Molecular Weight411.44 g/mol
Exact Mass411.18
IUPAC Name7-[[1-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCOc1ncc(Cn2cc(CNc3cc4c(c(C)n3)NC(=O)CN4C)cn2)cc1F
InChIInChI=1S/C20H22FN7O2/c1-12-19-16(27(2)11-18(29)26-19)5-17(25-12)22-7-14-8-24-28(10-14)9-13-4-15(21)20(30-3)23-6-13/h4-6,8,10H,7,9,11H2,1-3H3,(H,22,25)(H,26,29)
InChIKeyNXBLOEBRTIHYAF-UHFFFAOYSA-N
XLogP2.18
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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
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)-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-[(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-[(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
(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-[(2,4-difluoro-3-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 153444639
7-[[1-[(2,4-difluoro-3-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 146203545
(2S)-7-[[1-[[6-(difluoromethoxy)-3-pyridinyl]methyl]pyrazol-4-yl]methylamino]-2-[(1R)-1-methoxyethyl]-1,5-dimethyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 146203275
(2S)-7-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 153444562
7-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]methylamino]-1,5-dimethyl-2-propan-2-yl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 146203205

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ncc(Cn2cc(CNc3cc4c(c(C)n3)NC(=O)CN4C)cn2)cc1F.
What is the InChIKey of 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?
The InChIKey is NXBLOEBRTIHYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7O2/c1-12-19-16(27(2)11-18(29)26-19)5-17(25-12)22-7-14-8-24-28(10-14)9-13-4-15(21)20(30-3)23-6-13/h4-6,8,10H,7,9,11H2,1-3H3,(H,22,25)(H,26,29).
What are the key properties of 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?
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 has a molecular weight of 411.44 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146202798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).