N-(2-fluorophenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide

C19H15FN4O2 — CID 135550947

IUPACN-(2-fluorophenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
SMILESCc1ccc2[nH]c3c(=O)n(CC(=O)Nc4ccccc4F)ncc3c2c1
InChIInChI=1S/C19H15FN4O2/c1-11-6-7-15-12(8-11)13-9-21-24(19(26)18(13)23-15)10-17(25)22-16-5-3-2-4-14(16)20/h2-9,23H,10H2,1H3,(H,22,25)
InChIKeyCWHCKFONTOVOLF-UHFFFAOYSA-N
MW350.35 g/mol
LogP2.96
Rot. Bonds3

About N-(2-fluorophenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide

N-(2-fluorophenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide (PubChem CID 135550947) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
PubChem CID135550947
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC NameN-(2-fluorophenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
SMILESCc1ccc2[nH]c3c(=O)n(CC(=O)Nc4ccccc4F)ncc3c2c1
InChIInChI=1S/C19H15FN4O2/c1-11-6-7-15-12(8-11)13-9-21-24(19(26)18(13)23-15)10-17(25)22-16-5-3-2-4-14(16)20/h2-9,23H,10H2,1H3,(H,22,25)
InChIKeyCWHCKFONTOVOLF-UHFFFAOYSA-N
XLogP2.96
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550937
N-(2-ethoxyphenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550982
N-(4-fluorophenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550934
2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 135551045
N-(2,5-difluorophenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135410384
N-(2,4-dimethoxyphenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550942
2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 135410471
N-(3,4-dimethoxyphenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550944
N-(3-chloro-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833616
N-(4-bromo-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833515
2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 135551035
N-(2,5-dimethoxyphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833532

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide (CID 135550947) is N-(2-fluorophenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide is Cc1ccc2[nH]c3c(=O)n(CC(=O)Nc4ccccc4F)ncc3c2c1.
What is the InChIKey of N-(2-fluorophenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The InChIKey is CWHCKFONTOVOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c1-11-6-7-15-12(8-11)13-9-21-24(19(26)18(13)23-15)10-17(25)22-16-5-3-2-4-14(16)20/h2-9,23H,10H2,1H3,(H,22,25).
What are the key properties of N-(2-fluorophenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
N-(2-fluorophenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide has a molecular weight of 350.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide is sourced from PubChem (CID 135550947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).