N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide

C22H19ClN4O2 — CID 70775486

IUPACN-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1c(-c2ccccc2)[nH]c2c(CNC(=O)c3ccc(=O)n(C)n3)cc(Cl)cc12
InChIInChI=1S/C22H19ClN4O2/c1-13-17-11-16(23)10-15(21(17)25-20(13)14-6-4-3-5-7-14)12-24-22(29)18-8-9-19(28)27(2)26-18/h3-11,25H,12H2,1-2H3,(H,24,29)
InChIKeySSFXVXFWOPNFAA-UHFFFAOYSA-N
MW406.87 g/mol
LogP3.82
Rot. Bonds4

About N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 70775486) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID70775486
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC NameN-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1c(-c2ccccc2)[nH]c2c(CNC(=O)c3ccc(=O)n(C)n3)cc(Cl)cc12
InChIInChI=1S/C22H19ClN4O2/c1-13-17-11-16(23)10-15(21(17)25-20(13)14-6-4-3-5-7-14)12-24-22(29)18-8-9-19(28)27(2)26-18/h3-11,25H,12H2,1-2H3,(H,24,29)
InChIKeySSFXVXFWOPNFAA-UHFFFAOYSA-N
XLogP3.82
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 56866475
(2R)-N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 95556269
N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide
CID 56868894
1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide
CID 90515674
1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 42161813
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 111427471
1-methyl-6-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 31791793
N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide
CID 26330947
4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
CID 43091994
1-methyl-6-oxo-N-[2-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide
CID 9465629
1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 39730942
N'-[2-(4-chlorophenyl)acetyl]-1-methyl-6-oxopyridazine-3-carbohydrazide
CID 51163217

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 70775486) is N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cc1c(-c2ccccc2)[nH]c2c(CNC(=O)c3ccc(=O)n(C)n3)cc(Cl)cc12.
What is the InChIKey of N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is SSFXVXFWOPNFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-13-17-11-16(23)10-15(21(17)25-20(13)14-6-4-3-5-7-14)12-24-22(29)18-8-9-19(28)27(2)26-18/h3-11,25H,12H2,1-2H3,(H,24,29).
What are the key properties of N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 406.87 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 70775486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).