N-[6-(4-chlorophenyl)-2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-oxopyridazin-4-yl]acetamide

C23H21ClN4O3 — CID 95054472

IUPACN-[6-(4-chlorophenyl)-2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-oxopyridazin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn([C@H](C)C(=O)N2CCc3ccccc32)c1=O
InChIInChI=1S/C23H21ClN4O3/c1-14(22(30)27-12-11-17-5-3-4-6-21(17)27)28-23(31)20(25-15(2)29)13-19(26-28)16-7-9-18(24)10-8-16/h3-10,13-14H,11-12H2,1-2H3,(H,25,29)/t14-/m1/s1
InChIKeyYOMXRUDOKLSWDX-CQSZACIVSA-N
MW436.90 g/mol
LogP3.67
Rot. Bonds4

About N-[6-(4-chlorophenyl)-2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-oxopyridazin-4-yl]acetamide

N-[6-(4-chlorophenyl)-2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-oxopyridazin-4-yl]acetamide (PubChem CID 95054472) has the molecular formula C23H21ClN4O3 and a molecular weight of 436.90 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)-2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-oxopyridazin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)-2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-oxopyridazin-4-yl]acetamide
PubChem CID95054472
Molecular FormulaC23H21ClN4O3
Molecular Weight436.90 g/mol
Exact Mass436.13
IUPAC NameN-[6-(4-chlorophenyl)-2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-oxopyridazin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn([C@H](C)C(=O)N2CCc3ccccc32)c1=O
InChIInChI=1S/C23H21ClN4O3/c1-14(22(30)27-12-11-17-5-3-4-6-21(17)27)28-23(31)20(25-15(2)29)13-19(26-28)16-7-9-18(24)10-8-16/h3-10,13-14H,11-12H2,1-2H3,(H,25,29)/t14-/m1/s1
InChIKeyYOMXRUDOKLSWDX-CQSZACIVSA-N
XLogP3.67
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-(4-methylphenyl)-1,2,4-triazin-3-one
CID 95062215
2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]-6-(4-methylphenyl)pyridazin-3-one
CID 28623198
1-(2,3-dihydroindol-1-yl)-2-(3-methylindazol-1-yl)propan-1-one
CID 53298906
(2S)-2-[3-(4-chlorophenyl)-6-oxo-5-(propanoylamino)pyridazin-1-yl]-N-(2,3-dimethylphenyl)propanamide
CID 94086831
1-(5-chloro-2-methoxyphenyl)-3-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea
CID 92881462
1-(3-chloro-4-fluorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea
CID 92881472
1-(5-chloro-2-methoxyphenyl)-3-[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]urea
CID 46383367
6-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one
CID 46279373
2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]-6-(3,4-dimethylphenyl)pyridazin-3-one
CID 92735678
1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2,5-dichlorobenzoate
CID 2661564
(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 9356889

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenyl)-2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-oxopyridazin-4-yl]acetamide?
The IUPAC name of N-[6-(4-chlorophenyl)-2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-oxopyridazin-4-yl]acetamide (CID 95054472) is N-[6-(4-chlorophenyl)-2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-oxopyridazin-4-yl]acetamide.
What is the SMILES notation for N-[6-(4-chlorophenyl)-2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-oxopyridazin-4-yl]acetamide?
The canonical SMILES for N-[6-(4-chlorophenyl)-2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-oxopyridazin-4-yl]acetamide is CC(=O)Nc1cc(-c2ccc(Cl)cc2)nn([C@H](C)C(=O)N2CCc3ccccc32)c1=O.
What is the InChIKey of N-[6-(4-chlorophenyl)-2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-oxopyridazin-4-yl]acetamide?
The InChIKey is YOMXRUDOKLSWDX-CQSZACIVSA-N. The full InChI is InChI=1S/C23H21ClN4O3/c1-14(22(30)27-12-11-17-5-3-4-6-21(17)27)28-23(31)20(25-15(2)29)13-19(26-28)16-7-9-18(24)10-8-16/h3-10,13-14H,11-12H2,1-2H3,(H,25,29)/t14-/m1/s1.
What are the key properties of N-[6-(4-chlorophenyl)-2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-oxopyridazin-4-yl]acetamide?
N-[6-(4-chlorophenyl)-2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-oxopyridazin-4-yl]acetamide has a molecular weight of 436.90 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenyl)-2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-oxopyridazin-4-yl]acetamide is sourced from PubChem (CID 95054472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).