N-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-4-oxo-4-phenylbutanamide

C24H23FN4O3 — CID 25003291

IUPACN-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)Nc1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
InChIInChI=1S/C24H23FN4O3/c25-18-9-8-15(14-20-23-17(7-4-12-26-23)24(32)29-28-20)13-19(18)27-22(31)11-10-21(30)16-5-2-1-3-6-16/h1-3,5-6,8-9,13,26H,4,7,10-12,14H2,(H,27,31)(H,29,32)
InChIKeyRQZUSZLWRTUSLR-UHFFFAOYSA-N
MW434.47 g/mol
LogP3.46
Rot. Bonds7

About N-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-4-oxo-4-phenylbutanamide

N-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-4-oxo-4-phenylbutanamide (PubChem CID 25003291) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is N-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-4-oxo-4-phenylbutanamide
PubChem CID25003291
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC NameN-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)Nc1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
InChIInChI=1S/C24H23FN4O3/c25-18-9-8-15(14-20-23-17(7-4-12-26-23)24(32)29-28-20)13-19(18)27-22(31)11-10-21(30)16-5-2-1-3-6-16/h1-3,5-6,8-9,13,26H,4,7,10-12,14H2,(H,27,31)(H,29,32)
InChIKeyRQZUSZLWRTUSLR-UHFFFAOYSA-N
XLogP3.46
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-4-oxo-4-phenylbutanamide (CID 25003291) is N-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-4-oxo-4-phenylbutanamide is O=C(CCC(=O)c1ccccc1)Nc1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F.
What is the InChIKey of N-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-4-oxo-4-phenylbutanamide?
The InChIKey is RQZUSZLWRTUSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c25-18-9-8-15(14-20-23-17(7-4-12-26-23)24(32)29-28-20)13-19(18)27-22(31)11-10-21(30)16-5-2-1-3-6-16/h1-3,5-6,8-9,13,26H,4,7,10-12,14H2,(H,27,31)(H,29,32).
What are the key properties of N-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-4-oxo-4-phenylbutanamide?
N-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-4-oxo-4-phenylbutanamide has a molecular weight of 434.47 g/mol, XLogP of 3.46, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 25003291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).