5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one;fluoromethane

C20H24F2N4O2 — CID 142546932

IUPAC5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one;fluoromethane
SMILESCF.Cc1cc(F)ccc1CN1CCN(c2cn[nH]c(=O)c2C2CC2)CC1=O
InChIInChI=1S/C19H21FN4O2.CH3F/c1-12-8-15(20)5-4-14(12)10-24-7-6-23(11-17(24)25)16-9-21-22-19(26)18(16)13-2-3-13;1-2/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,22,26);1H3
InChIKeyOCJCQQSBDKDUFB-UHFFFAOYSA-N
MW390.43 g/mol
LogP2.53
Rot. Bonds4

About 5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one;fluoromethane

5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one;fluoromethane (PubChem CID 142546932) has the molecular formula C20H24F2N4O2 and a molecular weight of 390.43 g/mol. Its IUPAC name is 5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one;fluoromethane.

Molecular Properties

Compound Name5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one;fluoromethane
PubChem CID142546932
Molecular FormulaC20H24F2N4O2
Molecular Weight390.43 g/mol
Exact Mass390.19
IUPAC Name5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one;fluoromethane
SMILESCF.Cc1cc(F)ccc1CN1CCN(c2cn[nH]c(=O)c2C2CC2)CC1=O
InChIInChI=1S/C19H21FN4O2.CH3F/c1-12-8-15(20)5-4-14(12)10-24-7-6-23(11-17(24)25)16-9-21-22-19(26)18(16)13-2-3-13;1-2/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,22,26);1H3
InChIKeyOCJCQQSBDKDUFB-UHFFFAOYSA-N
XLogP2.53
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one;fluoromethane?
The IUPAC name of 5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one;fluoromethane (CID 142546932) is 5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one;fluoromethane.
What is the SMILES notation for 5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one;fluoromethane?
The canonical SMILES for 5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one;fluoromethane is CF.Cc1cc(F)ccc1CN1CCN(c2cn[nH]c(=O)c2C2CC2)CC1=O.
What is the InChIKey of 5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one;fluoromethane?
The InChIKey is OCJCQQSBDKDUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2.CH3F/c1-12-8-15(20)5-4-14(12)10-24-7-6-23(11-17(24)25)16-9-21-22-19(26)18(16)13-2-3-13;1-2/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,22,26);1H3.
What are the key properties of 5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one;fluoromethane?
5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one;fluoromethane has a molecular weight of 390.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one;fluoromethane is sourced from PubChem (CID 142546932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).