7-[2-fluoro-5-[(4-hydroxy-3,4-dihydrophthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide

C22H20FN7O3 — CID 129261992

IUPAC7-[2-fluoro-5-[(4-hydroxy-3,4-dihydrophthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
SMILESNC(=O)c1nnc2n1CCN(C(=O)c1cc(CC3=NNC(O)c4ccccc43)ccc1F)C2
InChIInChI=1S/C22H20FN7O3/c23-16-6-5-12(10-17-13-3-1-2-4-14(13)21(32)28-25-17)9-15(16)22(33)29-7-8-30-18(11-29)26-27-20(30)19(24)31/h1-6,9,21,28,32H,7-8,10-11H2,(H2,24,31)
InChIKeyAVVXPRDHLKIPNX-UHFFFAOYSA-N
MW449.45 g/mol
LogP0.71
Rot. Bonds4

About 7-[2-fluoro-5-[(4-hydroxy-3,4-dihydrophthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide

7-[2-fluoro-5-[(4-hydroxy-3,4-dihydrophthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide (PubChem CID 129261992) has the molecular formula C22H20FN7O3 and a molecular weight of 449.45 g/mol. Its IUPAC name is 7-[2-fluoro-5-[(4-hydroxy-3,4-dihydrophthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name7-[2-fluoro-5-[(4-hydroxy-3,4-dihydrophthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
PubChem CID129261992
Molecular FormulaC22H20FN7O3
Molecular Weight449.45 g/mol
Exact Mass449.16
IUPAC Name7-[2-fluoro-5-[(4-hydroxy-3,4-dihydrophthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
SMILESNC(=O)c1nnc2n1CCN(C(=O)c1cc(CC3=NNC(O)c4ccccc43)ccc1F)C2
InChIInChI=1S/C22H20FN7O3/c23-16-6-5-12(10-17-13-3-1-2-4-14(13)21(32)28-25-17)9-15(16)22(33)29-7-8-30-18(11-29)26-27-20(30)19(24)31/h1-6,9,21,28,32H,7-8,10-11H2,(H2,24,31)
InChIKeyAVVXPRDHLKIPNX-UHFFFAOYSA-N
XLogP0.71
TPSA138.73 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.45
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-[2-fluoro-5-[(4-hydroxy-3,4-dihydrophthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[2-fluoro-5-[(4-hydroxy-3,4-dihydrophthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
The IUPAC name of 7-[2-fluoro-5-[(4-hydroxy-3,4-dihydrophthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide (CID 129261992) is 7-[2-fluoro-5-[(4-hydroxy-3,4-dihydrophthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide.
What is the SMILES notation for 7-[2-fluoro-5-[(4-hydroxy-3,4-dihydrophthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
The canonical SMILES for 7-[2-fluoro-5-[(4-hydroxy-3,4-dihydrophthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide is NC(=O)c1nnc2n1CCN(C(=O)c1cc(CC3=NNC(O)c4ccccc43)ccc1F)C2.
What is the InChIKey of 7-[2-fluoro-5-[(4-hydroxy-3,4-dihydrophthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
The InChIKey is AVVXPRDHLKIPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O3/c23-16-6-5-12(10-17-13-3-1-2-4-14(13)21(32)28-25-17)9-15(16)22(33)29-7-8-30-18(11-29)26-27-20(30)19(24)31/h1-6,9,21,28,32H,7-8,10-11H2,(H2,24,31).
What are the key properties of 7-[2-fluoro-5-[(4-hydroxy-3,4-dihydrophthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
7-[2-fluoro-5-[(4-hydroxy-3,4-dihydrophthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide has a molecular weight of 449.45 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-fluoro-5-[(4-hydroxy-3,4-dihydrophthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide is sourced from PubChem (CID 129261992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).