5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one

C24H25FN4O4 — CID 91759575

IUPAC5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one
SMILESCc1cc(CN2CC[C@H](O)C2)ccc1C(=O)Cn1ncc(OCc2ccc(F)cn2)cc1=O
InChIInChI=1S/C24H25FN4O4/c1-16-8-17(12-28-7-6-20(30)13-28)2-5-22(16)23(31)14-29-24(32)9-21(11-27-29)33-15-19-4-3-18(25)10-26-19/h2-5,8-11,20,30H,6-7,12-15H2,1H3/t20-/m0/s1
InChIKeyVFHCFVJBXOILLO-FQEVSTJZSA-N
MW452.49 g/mol
LogP2.11
Rot. Bonds8

About 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one

5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one (PubChem CID 91759575) has the molecular formula C24H25FN4O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one
PubChem CID91759575
Molecular FormulaC24H25FN4O4
Molecular Weight452.49 g/mol
Exact Mass452.19
IUPAC Name5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one
SMILESCc1cc(CN2CC[C@H](O)C2)ccc1C(=O)Cn1ncc(OCc2ccc(F)cn2)cc1=O
InChIInChI=1S/C24H25FN4O4/c1-16-8-17(12-28-7-6-20(30)13-28)2-5-22(16)23(31)14-29-24(32)9-21(11-27-29)33-15-19-4-3-18(25)10-26-19/h2-5,8-11,20,30H,6-7,12-15H2,1H3/t20-/m0/s1
InChIKeyVFHCFVJBXOILLO-FQEVSTJZSA-N
XLogP2.11
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one (CID 91759575) is 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one is Cc1cc(CN2CC[C@H](O)C2)ccc1C(=O)Cn1ncc(OCc2ccc(F)cn2)cc1=O.
What is the InChIKey of 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is VFHCFVJBXOILLO-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H25FN4O4/c1-16-8-17(12-28-7-6-20(30)13-28)2-5-22(16)23(31)14-29-24(32)9-21(11-27-29)33-15-19-4-3-18(25)10-26-19/h2-5,8-11,20,30H,6-7,12-15H2,1H3/t20-/m0/s1.
What are the key properties of 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one?
5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 452.49 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2-pyridinyl)methoxy]-2-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 91759575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).