4-amino-1-ethyl-3-[1-[2-(3-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]-6H-pyrazolo[4,5-d]pyridazin-7-one

C23H21FN6O2 — CID 177376101

IUPAC4-amino-1-ethyl-3-[1-[2-(3-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]-6H-pyrazolo[4,5-d]pyridazin-7-one
SMILESCCn1nc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(F)c2)c2c(N)n[nH]c(=O)c21
InChIInChI=1S/C23H21FN6O2/c1-2-30-21-19(22(25)26-27-23(21)32)20(28-30)15-6-7-17-14(12-15)8-9-29(17)18(31)11-13-4-3-5-16(24)10-13/h3-7,10,12H,2,8-9,11H2,1H3,(H2,25,26)(H,27,32)
InChIKeySQJCQGINKMWCIY-UHFFFAOYSA-N
MW432.46 g/mol
LogP2.66
Rot. Bonds4

About 4-amino-1-ethyl-3-[1-[2-(3-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]-6H-pyrazolo[4,5-d]pyridazin-7-one

4-amino-1-ethyl-3-[1-[2-(3-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]-6H-pyrazolo[4,5-d]pyridazin-7-one (PubChem CID 177376101) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is 4-amino-1-ethyl-3-[1-[2-(3-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]-6H-pyrazolo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name4-amino-1-ethyl-3-[1-[2-(3-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]-6H-pyrazolo[4,5-d]pyridazin-7-one
PubChem CID177376101
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC Name4-amino-1-ethyl-3-[1-[2-(3-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]-6H-pyrazolo[4,5-d]pyridazin-7-one
SMILESCCn1nc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(F)c2)c2c(N)n[nH]c(=O)c21
InChIInChI=1S/C23H21FN6O2/c1-2-30-21-19(22(25)26-27-23(21)32)20(28-30)15-6-7-17-14(12-15)8-9-29(17)18(31)11-13-4-3-5-16(24)10-13/h3-7,10,12H,2,8-9,11H2,1H3,(H2,25,26)(H,27,32)
InChIKeySQJCQGINKMWCIY-UHFFFAOYSA-N
XLogP2.66
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-ethyl-3-[1-[2-[3-(trifluoromethoxy)phenyl]acetyl]-2,3-dihydroindol-5-yl]-6H-pyrazolo[4,5-d]pyridazin-7-one
CID 177376089
4-amino-1-ethyl-3-[1-[3-(trifluoromethoxy)benzoyl]-2,3-dihydroindol-5-yl]-6H-pyrazolo[4,5-d]pyridazin-7-one
CID 177376106
2-(3-fluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone
CID 71015740
1-[5-(4-amino-1-ethylpyrazolo[3,4-d]pyrimidin-3-yl)-2,3-dihydroindol-1-yl]-2-[2-ethyl-5-(trifluoromethoxy)phenyl]ethanone
CID 171346765
1-[5-(4-amino-5-ethylpyrrolo[3,2-d]pyrimidin-7-yl)-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone
CID 177376083
3-(3-fluorophenyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
CID 167657587
2-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103493820
1-[5-[4-amino-7-(azetidin-3-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-2,3-dihydroindol-1-yl]-2-(3-methylphenyl)ethanone
CID 66824049
2-(3-methoxyphenyl)-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
CID 27899486
1-[5-[[2-amino-5-(1-methylpyrazol-3-yl)-3-pyridinyl]oxy]-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 170188670
2-(2,3-difluorophenyl)-1-[5-(1-methylpyrazol-3-yl)-2,3-dihydroindol-1-yl]ethanone
CID 71015320
4-[4-[2-[5-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]phenyl]-2H-phthalazin-1-one
CID 118556497

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-3-[1-[2-(3-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]-6H-pyrazolo[4,5-d]pyridazin-7-one?
The IUPAC name of 4-amino-1-ethyl-3-[1-[2-(3-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]-6H-pyrazolo[4,5-d]pyridazin-7-one (CID 177376101) is 4-amino-1-ethyl-3-[1-[2-(3-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]-6H-pyrazolo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 4-amino-1-ethyl-3-[1-[2-(3-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]-6H-pyrazolo[4,5-d]pyridazin-7-one?
The canonical SMILES for 4-amino-1-ethyl-3-[1-[2-(3-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]-6H-pyrazolo[4,5-d]pyridazin-7-one is CCn1nc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(F)c2)c2c(N)n[nH]c(=O)c21.
What is the InChIKey of 4-amino-1-ethyl-3-[1-[2-(3-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]-6H-pyrazolo[4,5-d]pyridazin-7-one?
The InChIKey is SQJCQGINKMWCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c1-2-30-21-19(22(25)26-27-23(21)32)20(28-30)15-6-7-17-14(12-15)8-9-29(17)18(31)11-13-4-3-5-16(24)10-13/h3-7,10,12H,2,8-9,11H2,1H3,(H2,25,26)(H,27,32).
What are the key properties of 4-amino-1-ethyl-3-[1-[2-(3-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]-6H-pyrazolo[4,5-d]pyridazin-7-one?
4-amino-1-ethyl-3-[1-[2-(3-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]-6H-pyrazolo[4,5-d]pyridazin-7-one has a molecular weight of 432.46 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-3-[1-[2-(3-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]-6H-pyrazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 177376101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).