5-(2,2-difluorocyclopropyl)-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one

C19H21F3N4O — CID 138483764

IUPAC5-(2,2-difluorocyclopropyl)-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESCc1cc(F)ccc1CN1CCN(c2cn[nH]c(=O)c2C2CC2(F)F)CC1
InChIInChI=1S/C19H21F3N4O/c1-12-8-14(20)3-2-13(12)11-25-4-6-26(7-5-25)16-10-23-24-18(27)17(16)15-9-19(15,21)22/h2-3,8,10,15H,4-7,9,11H2,1H3,(H,24,27)
InChIKeyMXQKNHRSYHFQQD-UHFFFAOYSA-N
MW378.40 g/mol
LogP2.66
Rot. Bonds4

About 5-(2,2-difluorocyclopropyl)-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one

5-(2,2-difluorocyclopropyl)-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 138483764) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is 5-(2,2-difluorocyclopropyl)-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(2,2-difluorocyclopropyl)-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID138483764
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name5-(2,2-difluorocyclopropyl)-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESCc1cc(F)ccc1CN1CCN(c2cn[nH]c(=O)c2C2CC2(F)F)CC1
InChIInChI=1S/C19H21F3N4O/c1-12-8-14(20)3-2-13(12)11-25-4-6-26(7-5-25)16-10-23-24-18(27)17(16)15-9-19(15,21)22/h2-3,8,10,15H,4-7,9,11H2,1H3,(H,24,27)
InChIKeyMXQKNHRSYHFQQD-UHFFFAOYSA-N
XLogP2.66
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluorocyclopropyl)-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-(2,2-difluorocyclopropyl)-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one (CID 138483764) is 5-(2,2-difluorocyclopropyl)-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-(2,2-difluorocyclopropyl)-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-(2,2-difluorocyclopropyl)-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one is Cc1cc(F)ccc1CN1CCN(c2cn[nH]c(=O)c2C2CC2(F)F)CC1.
What is the InChIKey of 5-(2,2-difluorocyclopropyl)-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is MXQKNHRSYHFQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c1-12-8-14(20)3-2-13(12)11-25-4-6-26(7-5-25)16-10-23-24-18(27)17(16)15-9-19(15,21)22/h2-3,8,10,15H,4-7,9,11H2,1H3,(H,24,27).
What are the key properties of 5-(2,2-difluorocyclopropyl)-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
5-(2,2-difluorocyclopropyl)-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 378.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluorocyclopropyl)-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138483764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).