1-(4,4-difluorocyclohexyl)-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone

C20H20F2N4O — CID 147553586

IUPAC1-(4,4-difluorocyclohexyl)-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
SMILESCn1cc(-c2ccc3nnc(CC(=O)C4CCC(F)(F)CC4)cc3c2)cn1
InChIInChI=1S/C20H20F2N4O/c1-26-12-16(11-23-26)14-2-3-18-15(8-14)9-17(24-25-18)10-19(27)13-4-6-20(21,22)7-5-13/h2-3,8-9,11-13H,4-7,10H2,1H3
InChIKeyFRGALBJYZSHDEG-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.97
Rot. Bonds4

About 1-(4,4-difluorocyclohexyl)-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone

1-(4,4-difluorocyclohexyl)-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone (PubChem CID 147553586) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
PubChem CID147553586
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC Name1-(4,4-difluorocyclohexyl)-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
SMILESCn1cc(-c2ccc3nnc(CC(=O)C4CCC(F)(F)CC4)cc3c2)cn1
InChIInChI=1S/C20H20F2N4O/c1-26-12-16(11-23-26)14-2-3-18-15(8-14)9-17(24-25-18)10-19(27)13-4-6-20(21,22)7-5-13/h2-3,8-9,11-13H,4-7,10H2,1H3
InChIKeyFRGALBJYZSHDEG-UHFFFAOYSA-N
XLogP3.97
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,4-difluorocyclohexyl)-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
CID 147773317
1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
CID 149206774
1-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-3-pyrrolidin-1-ylpropan-2-one
CID 147925750
1-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-3-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)propan-2-one
CID 158712365
1-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-3-morpholin-4-ylpropan-2-one
CID 148508594
4-[[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 138591121
1-(4-methyl-1,4-diazepan-1-yl)-3-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]propan-2-one
CID 158767293
4-amino-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]cyclohexane-1-carboxamide
CID 138590409
1-[1-(hydroxymethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 159155935
methyl 4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]cyclohexane-1-carboxylate
CID 149324003
1-(1-methylpiperidin-4-yl)-2-[6-(5-pyrrolidin-1-yl-3-pyridinyl)cinnolin-3-yl]ethanone
CID 159820291
1-(1-tert-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 158989738

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone (CID 147553586) is 1-(4,4-difluorocyclohexyl)-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone is Cn1cc(-c2ccc3nnc(CC(=O)C4CCC(F)(F)CC4)cc3c2)cn1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone?
The InChIKey is FRGALBJYZSHDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O/c1-26-12-16(11-23-26)14-2-3-18-15(8-14)9-17(24-25-18)10-19(27)13-4-6-20(21,22)7-5-13/h2-3,8-9,11-13H,4-7,10H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone?
1-(4,4-difluorocyclohexyl)-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone has a molecular weight of 370.40 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone is sourced from PubChem (CID 147553586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).