5-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-4-chloro-2-methylpyridazin-3-one

C15H15ClN4O2 — CID 167868003

IUPAC5-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-4-chloro-2-methylpyridazin-3-one
SMILESCC(=O)N1CCc2cc(Nc3cnn(C)c(=O)c3Cl)ccc21
InChIInChI=1S/C15H15ClN4O2/c1-9(21)20-6-5-10-7-11(3-4-13(10)20)18-12-8-17-19(2)15(22)14(12)16/h3-4,7-8,18H,5-6H2,1-2H3
InChIKeyDIATXVVEGWMQJA-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.09
Rot. Bonds2

About 5-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-4-chloro-2-methylpyridazin-3-one

5-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-4-chloro-2-methylpyridazin-3-one (PubChem CID 167868003) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is 5-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-4-chloro-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-4-chloro-2-methylpyridazin-3-one
PubChem CID167868003
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name5-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-4-chloro-2-methylpyridazin-3-one
SMILESCC(=O)N1CCc2cc(Nc3cnn(C)c(=O)c3Cl)ccc21
InChIInChI=1S/C15H15ClN4O2/c1-9(21)20-6-5-10-7-11(3-4-13(10)20)18-12-8-17-19(2)15(22)14(12)16/h3-4,7-8,18H,5-6H2,1-2H3
InChIKeyDIATXVVEGWMQJA-UHFFFAOYSA-N
XLogP2.09
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(5-chloro-2-methylanilino)-2,3-dihydroindol-1-yl]ethanone
CID 110452814
1-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone
CID 15840805
1-[5-(2-propan-2-yloxyanilino)-2,3-dihydroindol-1-yl]ethanone
CID 110452888
6-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyridine-3-carbonitrile
CID 18156172
N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
CID 18205048
1-[5-[(3-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 115682421
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
tert-butyl N-[2-[2-[2-[6-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]ethoxy]ethoxy]ethyl]carbamate
CID 175963753
1-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 168580151
4-chloro-5-(4-ethylanilino)-2-methylpyridazin-3-one
CID 176970042
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-2-(methylamino)propanamide
CID 62836406
N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80617967

Frequently Asked Questions

What is the IUPAC name of 5-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-4-chloro-2-methylpyridazin-3-one?
The IUPAC name of 5-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-4-chloro-2-methylpyridazin-3-one (CID 167868003) is 5-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-4-chloro-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-4-chloro-2-methylpyridazin-3-one?
The canonical SMILES for 5-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-4-chloro-2-methylpyridazin-3-one is CC(=O)N1CCc2cc(Nc3cnn(C)c(=O)c3Cl)ccc21.
What is the InChIKey of 5-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-4-chloro-2-methylpyridazin-3-one?
The InChIKey is DIATXVVEGWMQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c1-9(21)20-6-5-10-7-11(3-4-13(10)20)18-12-8-17-19(2)15(22)14(12)16/h3-4,7-8,18H,5-6H2,1-2H3.
What are the key properties of 5-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-4-chloro-2-methylpyridazin-3-one?
5-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-4-chloro-2-methylpyridazin-3-one has a molecular weight of 318.76 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-4-chloro-2-methylpyridazin-3-one is sourced from PubChem (CID 167868003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).