N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-1-ethyl-6-oxopyridazine-3-carboxamide

C22H19ClN4O3 — CID 86933819

IUPACN-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-1-ethyl-6-oxopyridazine-3-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc(CN3C(=O)Cc4ccc(Cl)cc43)cc2)ccc1=O
InChIInChI=1S/C22H19ClN4O3/c1-2-27-20(28)10-9-18(25-27)22(30)24-17-7-3-14(4-8-17)13-26-19-12-16(23)6-5-15(19)11-21(26)29/h3-10,12H,2,11,13H2,1H3,(H,24,30)
InChIKeyHOXOXKMRKNJFQG-UHFFFAOYSA-N
MW422.87 g/mol
LogP3.26
Rot. Bonds5

About N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-1-ethyl-6-oxopyridazine-3-carboxamide

N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-1-ethyl-6-oxopyridazine-3-carboxamide (PubChem CID 86933819) has the molecular formula C22H19ClN4O3 and a molecular weight of 422.87 g/mol. Its IUPAC name is N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-1-ethyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-1-ethyl-6-oxopyridazine-3-carboxamide
PubChem CID86933819
Molecular FormulaC22H19ClN4O3
Molecular Weight422.87 g/mol
Exact Mass422.11
IUPAC NameN-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-1-ethyl-6-oxopyridazine-3-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc(CN3C(=O)Cc4ccc(Cl)cc43)cc2)ccc1=O
InChIInChI=1S/C22H19ClN4O3/c1-2-27-20(28)10-9-18(25-27)22(30)24-17-7-3-14(4-8-17)13-26-19-12-16(23)6-5-15(19)11-21(26)29/h3-10,12H,2,11,13H2,1H3,(H,24,30)
InChIKeyHOXOXKMRKNJFQG-UHFFFAOYSA-N
XLogP3.26
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-1-ethyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-1-ethyl-6-oxopyridazine-3-carboxamide (CID 86933819) is N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-1-ethyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-1-ethyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-1-ethyl-6-oxopyridazine-3-carboxamide is CCn1nc(C(=O)Nc2ccc(CN3C(=O)Cc4ccc(Cl)cc43)cc2)ccc1=O.
What is the InChIKey of N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-1-ethyl-6-oxopyridazine-3-carboxamide?
The InChIKey is HOXOXKMRKNJFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3/c1-2-27-20(28)10-9-18(25-27)22(30)24-17-7-3-14(4-8-17)13-26-19-12-16(23)6-5-15(19)11-21(26)29/h3-10,12H,2,11,13H2,1H3,(H,24,30).
What are the key properties of N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-1-ethyl-6-oxopyridazine-3-carboxamide?
N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-1-ethyl-6-oxopyridazine-3-carboxamide has a molecular weight of 422.87 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-1-ethyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 86933819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).