2-[5-[(4-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

C29H24FN5O2 — CID 20892152

IUPAC2-[5-[(4-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C29H24FN5O2/c30-21-11-9-19(10-12-21)17-34-26-8-4-2-6-23(26)24-16-33-35(29(37)28(24)34)18-27(36)31-14-13-20-15-32-25-7-3-1-5-22(20)25/h1-12,15-16,32H,13-14,17-18H2,(H,31,36)
InChIKeyTVGHIJUUSUHUPT-UHFFFAOYSA-N
MW493.54 g/mol
LogP4.38
Rot. Bonds7

About 2-[5-[(4-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-[5-[(4-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 20892152) has the molecular formula C29H24FN5O2 and a molecular weight of 493.54 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID20892152
Molecular FormulaC29H24FN5O2
Molecular Weight493.54 g/mol
Exact Mass493.19
IUPAC Name2-[5-[(4-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C29H24FN5O2/c30-21-11-9-19(10-12-21)17-34-26-8-4-2-6-23(26)24-16-33-35(29(37)28(24)34)18-27(36)31-14-13-20-15-32-25-7-3-1-5-22(20)25/h1-12,15-16,32H,13-14,17-18H2,(H,31,36)
InChIKeyTVGHIJUUSUHUPT-UHFFFAOYSA-N
XLogP4.38
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[5-[(4-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide
CID 20892126
2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 20892238
2-[5-[(4-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-(2-phenylpropyl)acetamide
CID 20892150
N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109000531
N-benzyl-2-[5-[(3-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide
CID 20892257
N-[(4-chlorophenyl)methyl]-2-[5-[(2,5-dimethylphenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide
CID 20892046
2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 20892220
2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 20892184
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)-N-(2-thiophen-3-ylethyl)acetamide
CID 20912886
2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 20892242
N-[(4-methoxyphenyl)methyl]-2-[5-[(2-methylphenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide
CID 20892021

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 20892152) is 2-[5-[(4-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[5-[(4-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is O=C(Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-[5-[(4-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is TVGHIJUUSUHUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN5O2/c30-21-11-9-19(10-12-21)17-34-26-8-4-2-6-23(26)24-16-33-35(29(37)28(24)34)18-27(36)31-14-13-20-15-32-25-7-3-1-5-22(20)25/h1-12,15-16,32H,13-14,17-18H2,(H,31,36).
What are the key properties of 2-[5-[(4-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-[5-[(4-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 493.54 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 20892152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).