2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-(2-methylcyclohexyl)acetamide

C26H27FN4O2 — CID 20892210

IUPAC2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O
InChIInChI=1S/C26H27FN4O2/c1-17-8-2-6-12-22(17)29-24(32)16-31-26(33)25-20(14-28-31)19-10-4-7-13-23(19)30(25)15-18-9-3-5-11-21(18)27/h3-5,7,9-11,13-14,17,22H,2,6,8,12,15-16H2,1H3,(H,29,32)
InChIKeyJATFMSFSBHAELU-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.23
Rot. Bonds5

About 2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-(2-methylcyclohexyl)acetamide

2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-(2-methylcyclohexyl)acetamide (PubChem CID 20892210) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is 2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-(2-methylcyclohexyl)acetamide
PubChem CID20892210
Molecular FormulaC26H27FN4O2
Molecular Weight446.53 g/mol
Exact Mass446.21
IUPAC Name2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O
InChIInChI=1S/C26H27FN4O2/c1-17-8-2-6-12-22(17)29-24(32)16-31-26(33)25-20(14-28-31)19-10-4-7-13-23(19)30(25)15-18-9-3-5-11-21(18)27/h3-5,7,9-11,13-14,17,22H,2,6,8,12,15-16H2,1H3,(H,29,32)
InChIKeyJATFMSFSBHAELU-UHFFFAOYSA-N
XLogP4.23
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylcyclohexyl)-2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetamide
CID 20892100
2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 98466593
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]acetamide
CID 92669008
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetamide
CID 92668590
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-[(2-fluorophenyl)methyl]pyridazino[4,5-b]indol-4-one
CID 20892180
2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 20892184
2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 20892220
N-cyclopentyl-2-[5-[(2,5-dimethylphenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide
CID 20892048
2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(4-methylcyclohexyl)acetamide
CID 6623641
N-cyclopentyl-2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetamide
CID 20892087
2-(7-ethyl-4-methyl-9-oxo-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-(2-methylcyclohexyl)acetamide
CID 16670463
2-[5-[(3-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-cyclopentylacetamide
CID 20892259

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-(2-methylcyclohexyl)acetamide (CID 20892210) is 2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1NC(=O)Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O.
What is the InChIKey of 2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-(2-methylcyclohexyl)acetamide?
The InChIKey is JATFMSFSBHAELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2/c1-17-8-2-6-12-22(17)29-24(32)16-31-26(33)25-20(14-28-31)19-10-4-7-13-23(19)30(25)15-18-9-3-5-11-21(18)27/h3-5,7,9-11,13-14,17,22H,2,6,8,12,15-16H2,1H3,(H,29,32).
What are the key properties of 2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-(2-methylcyclohexyl)acetamide?
2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-(2-methylcyclohexyl)acetamide has a molecular weight of 446.53 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 20892210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).