4-amino-5-chloro-2-methoxy-N-(2,3,5,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-2-yl)benzamide

C15H19ClN4O2 — CID 13121444

IUPAC4-amino-5-chloro-2-methoxy-N-(2,3,5,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-2-yl)benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC1CN2CC=CCN2C1
InChIInChI=1S/C15H19ClN4O2/c1-22-14-7-13(17)12(16)6-11(14)15(21)18-10-8-19-4-2-3-5-20(19)9-10/h2-3,6-7,10H,4-5,8-9,17H2,1H3,(H,18,21)
InChIKeyGSGBXXVDUXRQIS-UHFFFAOYSA-N
MW322.80 g/mol
LogP1.13
Rot. Bonds3

About 4-amino-5-chloro-2-methoxy-N-(2,3,5,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-2-yl)benzamide

4-amino-5-chloro-2-methoxy-N-(2,3,5,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-2-yl)benzamide (PubChem CID 13121444) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-(2,3,5,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-(2,3,5,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-2-yl)benzamide
PubChem CID13121444
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name4-amino-5-chloro-2-methoxy-N-(2,3,5,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-2-yl)benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC1CN2CC=CCN2C1
InChIInChI=1S/C15H19ClN4O2/c1-22-14-7-13(17)12(16)6-11(14)15(21)18-10-8-19-4-2-3-5-20(19)9-10/h2-3,6-7,10H,4-5,8-9,17H2,1H3,(H,18,21)
InChIKeyGSGBXXVDUXRQIS-UHFFFAOYSA-N
XLogP1.13
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-chloro-N-cyclohexyl-2-methoxybenzamide;hydrochloride
CID 119670043
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4-amino-5-chloro-2-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
CID 119892106
4-amino-5-chloro-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methoxybenzamide
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4-amino-5-chloro-2-methoxy-N-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]benzamide
CID 139786669
2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]butanoic acid
CID 22080716
4-amino-N-[(3S,4R,5R,7R)-1-azatricyclo[3.3.1.03,7]nonan-4-yl]-5-chloro-2-methoxybenzamide
CID 10903347
methyl 5-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]hexanoate
CID 142628583
4-amino-5-chloro-2-methoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 119782044
4-amino-5-chloro-N-[1-[[1-[3-(dimethylamino)propyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxybenzamide
CID 139786710
4-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methoxybenzamide;hydrochloride
CID 119793328
4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
CID 119827622

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-(2,3,5,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-2-yl)benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-(2,3,5,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-2-yl)benzamide (CID 13121444) is 4-amino-5-chloro-2-methoxy-N-(2,3,5,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-2-yl)benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-(2,3,5,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-2-yl)benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-(2,3,5,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-2-yl)benzamide is COc1cc(N)c(Cl)cc1C(=O)NC1CN2CC=CCN2C1.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-(2,3,5,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-2-yl)benzamide?
The InChIKey is GSGBXXVDUXRQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-22-14-7-13(17)12(16)6-11(14)15(21)18-10-8-19-4-2-3-5-20(19)9-10/h2-3,6-7,10H,4-5,8-9,17H2,1H3,(H,18,21).
What are the key properties of 4-amino-5-chloro-2-methoxy-N-(2,3,5,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-2-yl)benzamide?
4-amino-5-chloro-2-methoxy-N-(2,3,5,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-2-yl)benzamide has a molecular weight of 322.80 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-(2,3,5,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazin-2-yl)benzamide is sourced from PubChem (CID 13121444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).