5-chloro-4-[3-(4-fluoro-2-methylphenyl)sulfinyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one

C17H15ClFN5O2S — CID 170116559

IUPAC5-chloro-4-[3-(4-fluoro-2-methylphenyl)sulfinyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
SMILESCc1cc(F)ccc1S(=O)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C17H15ClFN5O2S/c1-10-6-11(19)2-3-13(10)27(26)15-8-20-14-9-23(4-5-24(14)15)12-7-21-22-17(25)16(12)18/h2-3,6-8H,4-5,9H2,1H3,(H,22,25)
InChIKeyDOMVUUNSDULLGW-UHFFFAOYSA-N
MW407.86 g/mol
LogP2.25
Rot. Bonds3

About 5-chloro-4-[3-(4-fluoro-2-methylphenyl)sulfinyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one

5-chloro-4-[3-(4-fluoro-2-methylphenyl)sulfinyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one (PubChem CID 170116559) has the molecular formula C17H15ClFN5O2S and a molecular weight of 407.86 g/mol. Its IUPAC name is 5-chloro-4-[3-(4-fluoro-2-methylphenyl)sulfinyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[3-(4-fluoro-2-methylphenyl)sulfinyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
PubChem CID170116559
Molecular FormulaC17H15ClFN5O2S
Molecular Weight407.86 g/mol
Exact Mass407.06
IUPAC Name5-chloro-4-[3-(4-fluoro-2-methylphenyl)sulfinyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one
SMILESCc1cc(F)ccc1S(=O)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C17H15ClFN5O2S/c1-10-6-11(19)2-3-13(10)27(26)15-8-20-14-9-23(4-5-24(14)15)12-7-21-22-17(25)16(12)18/h2-3,6-8H,4-5,9H2,1H3,(H,22,25)
InChIKeyDOMVUUNSDULLGW-UHFFFAOYSA-N
XLogP2.25
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-(4-fluoro-2-methylphenyl)sulfinyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[3-(4-fluoro-2-methylphenyl)sulfinyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one (CID 170116559) is 5-chloro-4-[3-(4-fluoro-2-methylphenyl)sulfinyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[3-(4-fluoro-2-methylphenyl)sulfinyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[3-(4-fluoro-2-methylphenyl)sulfinyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one is Cc1cc(F)ccc1S(=O)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2.
What is the InChIKey of 5-chloro-4-[3-(4-fluoro-2-methylphenyl)sulfinyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
The InChIKey is DOMVUUNSDULLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN5O2S/c1-10-6-11(19)2-3-13(10)27(26)15-8-20-14-9-23(4-5-24(14)15)12-7-21-22-17(25)16(12)18/h2-3,6-8H,4-5,9H2,1H3,(H,22,25).
What are the key properties of 5-chloro-4-[3-(4-fluoro-2-methylphenyl)sulfinyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one?
5-chloro-4-[3-(4-fluoro-2-methylphenyl)sulfinyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one has a molecular weight of 407.86 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-(4-fluoro-2-methylphenyl)sulfinyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 170116559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).