1-[4-(2-fluoropropylamino)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone

C24H27FN4O — CID 158089428

IUPAC1-[4-(2-fluoropropylamino)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone
SMILESCC(F)CNC1CCC(C(=O)Cc2cc3cc(-c4cccnn4)ccc3cn2)CC1
InChIInChI=1S/C24H27FN4O/c1-16(25)14-26-21-8-6-17(7-9-21)24(30)13-22-12-20-11-18(4-5-19(20)15-27-22)23-3-2-10-28-29-23/h2-5,10-12,15-17,21,26H,6-9,13-14H2,1H3
InChIKeyGHDOYCLVTPXOQQ-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.31
Rot. Bonds7

About 1-[4-(2-fluoropropylamino)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone

1-[4-(2-fluoropropylamino)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone (PubChem CID 158089428) has the molecular formula C24H27FN4O and a molecular weight of 406.51 g/mol. Its IUPAC name is 1-[4-(2-fluoropropylamino)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2-fluoropropylamino)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone
PubChem CID158089428
Molecular FormulaC24H27FN4O
Molecular Weight406.51 g/mol
Exact Mass406.22
IUPAC Name1-[4-(2-fluoropropylamino)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone
SMILESCC(F)CNC1CCC(C(=O)Cc2cc3cc(-c4cccnn4)ccc3cn2)CC1
InChIInChI=1S/C24H27FN4O/c1-16(25)14-26-21-8-6-17(7-9-21)24(30)13-22-12-20-11-18(4-5-19(20)15-27-22)23-3-2-10-28-29-23/h2-5,10-12,15-17,21,26H,6-9,13-14H2,1H3
InChIKeyGHDOYCLVTPXOQQ-UHFFFAOYSA-N
XLogP4.31
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2-fluoropropylamino)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone with MolForge

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Related Compounds

1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone
CID 147027857
1-[4-(morpholin-4-ylmethyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone
CID 147432485
3-(2,2-difluoroethylamino)-N-(6-pyridazin-3-ylisoquinolin-3-yl)cyclobutane-1-carboxamide
CID 138606088
N-(2,2-difluoroethyl)-1-ethenylpiperidin-4-amine;N-methyl-6-pyridazin-3-ylisoquinolin-3-amine
CID 142575300
4-[2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]acetyl]cyclohexane-1-carbaldehyde
CID 159019743
methyl 4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]cyclohexane-1-carboxylate
CID 149324003
1-cyclohexyl-2-[6-(3-methyltriazol-4-yl)isoquinolin-3-yl]ethanone
CID 149477859
4-(morpholin-4-ylmethyl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)cyclohexane-1-carboxamide
CID 138606041
1-(3,3-difluorocyclobutyl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 149486179
1-[4-(dimethylamino)cyclohexyl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
CID 158831170
2-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)ethanone
CID 158589955
1-cyclopropyl-2-[6-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]ethanone
CID 153047803

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoropropylamino)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone?
The IUPAC name of 1-[4-(2-fluoropropylamino)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone (CID 158089428) is 1-[4-(2-fluoropropylamino)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone.
What is the SMILES notation for 1-[4-(2-fluoropropylamino)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone?
The canonical SMILES for 1-[4-(2-fluoropropylamino)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone is CC(F)CNC1CCC(C(=O)Cc2cc3cc(-c4cccnn4)ccc3cn2)CC1.
What is the InChIKey of 1-[4-(2-fluoropropylamino)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone?
The InChIKey is GHDOYCLVTPXOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O/c1-16(25)14-26-21-8-6-17(7-9-21)24(30)13-22-12-20-11-18(4-5-19(20)15-27-22)23-3-2-10-28-29-23/h2-5,10-12,15-17,21,26H,6-9,13-14H2,1H3.
What are the key properties of 1-[4-(2-fluoropropylamino)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone?
1-[4-(2-fluoropropylamino)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone has a molecular weight of 406.51 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoropropylamino)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone is sourced from PubChem (CID 158089428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).