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

C18H18FN5O3 — CID 69319479

IUPAC3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCNC(=O)N1c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
InChIInChI=1S/C18H18FN5O3/c19-12-4-3-10(9-14(12)24-15(25)5-7-21-18(24)27)8-13-16-11(2-1-6-20-16)17(26)23-22-13/h3-4,9,20H,1-2,5-8H2,(H,21,27)(H,23,26)
InChIKeyUMDKWDOGTIIRNG-UHFFFAOYSA-N
MW371.37 g/mol
LogP1.30
Rot. Bonds3

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

3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-1,3-diazinane-2,4-dione (PubChem CID 69319479) has the molecular formula C18H18FN5O3 and a molecular weight of 371.37 g/mol. Its IUPAC name is 3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-1,3-diazinane-2,4-dione
PubChem CID69319479
Molecular FormulaC18H18FN5O3
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC Name3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCNC(=O)N1c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
InChIInChI=1S/C18H18FN5O3/c19-12-4-3-10(9-14(12)24-15(25)5-7-21-18(24)27)8-13-16-11(2-1-6-20-16)17(26)23-22-13/h3-4,9,20H,1-2,5-8H2,(H,21,27)(H,23,26)
InChIKeyUMDKWDOGTIIRNG-UHFFFAOYSA-N
XLogP1.30
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-1,3-diazinane-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-1,3-diazinane-2,4-dione (CID 69319479) is 3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-1,3-diazinane-2,4-dione is O=C1CCNC(=O)N1c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F.
What is the InChIKey of 3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is UMDKWDOGTIIRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3/c19-12-4-3-10(9-14(12)24-15(25)5-7-21-18(24)27)8-13-16-11(2-1-6-20-16)17(26)23-22-13/h3-4,9,20H,1-2,5-8H2,(H,21,27)(H,23,26).
What are the key properties of 3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-1,3-diazinane-2,4-dione?
3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 371.37 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 69319479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).