4-[[4-fluoro-3-[5-methyl-3-(1-methylpyrazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-4H-phthalazin-1-one

C26H23FN8O2 — CID 155295502

IUPAC4-[[4-fluoro-3-[5-methyl-3-(1-methylpyrazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-4H-phthalazin-1-one
SMILESCC1CN(C(=O)c2cc(CC3N=NC(=O)c4ccccc43)ccc2F)Cc2nnc(-c3cnn(C)c3)n21
InChIInChI=1S/C26H23FN8O2/c1-15-12-34(14-23-30-31-24(35(15)23)17-11-28-33(2)13-17)26(37)20-9-16(7-8-21(20)27)10-22-18-5-3-4-6-19(18)25(36)32-29-22/h3-9,11,13,15,22H,10,12,14H2,1-2H3
InChIKeyWTQPXGCAWQQBRO-UHFFFAOYSA-N
MW498.52 g/mol
LogP3.92
Rot. Bonds4

About 4-[[4-fluoro-3-[5-methyl-3-(1-methylpyrazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-4H-phthalazin-1-one

4-[[4-fluoro-3-[5-methyl-3-(1-methylpyrazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-4H-phthalazin-1-one (PubChem CID 155295502) has the molecular formula C26H23FN8O2 and a molecular weight of 498.52 g/mol. Its IUPAC name is 4-[[4-fluoro-3-[5-methyl-3-(1-methylpyrazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-4H-phthalazin-1-one.

Molecular Properties

Compound Name4-[[4-fluoro-3-[5-methyl-3-(1-methylpyrazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-4H-phthalazin-1-one
PubChem CID155295502
Molecular FormulaC26H23FN8O2
Molecular Weight498.52 g/mol
Exact Mass498.19
IUPAC Name4-[[4-fluoro-3-[5-methyl-3-(1-methylpyrazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-4H-phthalazin-1-one
SMILESCC1CN(C(=O)c2cc(CC3N=NC(=O)c4ccccc43)ccc2F)Cc2nnc(-c3cnn(C)c3)n21
InChIInChI=1S/C26H23FN8O2/c1-15-12-34(14-23-30-31-24(35(15)23)17-11-28-33(2)13-17)26(37)20-9-16(7-8-21(20)27)10-22-18-5-3-4-6-19(18)25(36)32-29-22/h3-9,11,13,15,22H,10,12,14H2,1-2H3
InChIKeyWTQPXGCAWQQBRO-UHFFFAOYSA-N
XLogP3.92
TPSA110.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.52
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[4-fluoro-3-[5-methyl-3-(1-methylpyrazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-4H-phthalazin-1-one with MolForge

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Related Compounds

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2-amino-N-[(1S)-1-(8-fluoro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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3-[[4-Amino-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one
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Frequently Asked Questions

What is the IUPAC name of 4-[[4-fluoro-3-[5-methyl-3-(1-methylpyrazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-4H-phthalazin-1-one?
The IUPAC name of 4-[[4-fluoro-3-[5-methyl-3-(1-methylpyrazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-4H-phthalazin-1-one (CID 155295502) is 4-[[4-fluoro-3-[5-methyl-3-(1-methylpyrazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-4H-phthalazin-1-one.
What is the SMILES notation for 4-[[4-fluoro-3-[5-methyl-3-(1-methylpyrazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-4H-phthalazin-1-one?
The canonical SMILES for 4-[[4-fluoro-3-[5-methyl-3-(1-methylpyrazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-4H-phthalazin-1-one is CC1CN(C(=O)c2cc(CC3N=NC(=O)c4ccccc43)ccc2F)Cc2nnc(-c3cnn(C)c3)n21.
What is the InChIKey of 4-[[4-fluoro-3-[5-methyl-3-(1-methylpyrazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-4H-phthalazin-1-one?
The InChIKey is WTQPXGCAWQQBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN8O2/c1-15-12-34(14-23-30-31-24(35(15)23)17-11-28-33(2)13-17)26(37)20-9-16(7-8-21(20)27)10-22-18-5-3-4-6-19(18)25(36)32-29-22/h3-9,11,13,15,22H,10,12,14H2,1-2H3.
What are the key properties of 4-[[4-fluoro-3-[5-methyl-3-(1-methylpyrazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-4H-phthalazin-1-one?
4-[[4-fluoro-3-[5-methyl-3-(1-methylpyrazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-4H-phthalazin-1-one has a molecular weight of 498.52 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-fluoro-3-[5-methyl-3-(1-methylpyrazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-4H-phthalazin-1-one is sourced from PubChem (CID 155295502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).