N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide

C20H17ClN4O3 — CID 53368196

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccco2)ccc1=O)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C20H17ClN4O3/c21-14-3-4-16-15(10-14)13(11-23-16)7-8-22-19(26)12-25-20(27)6-5-17(24-25)18-2-1-9-28-18/h1-6,9-11,23H,7-8,12H2,(H,22,26)
InChIKeyYMFUSUDYCQETIP-UHFFFAOYSA-N
MW396.83 g/mol
LogP3.00
Rot. Bonds6

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 53368196) has the molecular formula C20H17ClN4O3 and a molecular weight of 396.83 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
PubChem CID53368196
Molecular FormulaC20H17ClN4O3
Molecular Weight396.83 g/mol
Exact Mass396.10
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccco2)ccc1=O)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C20H17ClN4O3/c21-14-3-4-16-15(10-14)13(11-23-16)7-8-22-19(26)12-25-20(27)6-5-17(24-25)18-2-1-9-28-18/h1-6,9-11,23H,7-8,12H2,(H,22,26)
InChIKeyYMFUSUDYCQETIP-UHFFFAOYSA-N
XLogP3.00
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 52902934
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 51049102
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 52898467
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 121090616
N-[2-(4-fluorophenyl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 121049819
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 52906564
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121051603
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 121050894
N-[2-(1H-indol-3-yl)ethyl]-2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 52899053
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea
CID 113083690
2-[(2,4-dichlorophenyl)methyl]-6-(furan-2-yl)pyridazin-3-one
CID 7659505
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-indol-1-ylpropanamide
CID 71709006

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide (CID 53368196) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide is O=C(Cn1nc(-c2ccco2)ccc1=O)NCCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is YMFUSUDYCQETIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O3/c21-14-3-4-16-15(10-14)13(11-23-16)7-8-22-19(26)12-25-20(27)6-5-17(24-25)18-2-1-9-28-18/h1-6,9-11,23H,7-8,12H2,(H,22,26).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 396.83 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 53368196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).