N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide

C24H29N5O2 — CID 20919702

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide
SMILESCc1nn(C(C)C(=O)NCCC2=CCCCC2)c(=O)c2nn(-c3ccccc3)c(C)c12
InChIInChI=1S/C24H29N5O2/c1-16-21-17(2)28(20-12-8-5-9-13-20)27-22(21)24(31)29(26-16)18(3)23(30)25-15-14-19-10-6-4-7-11-19/h5,8-10,12-13,18H,4,6-7,11,14-15H2,1-3H3,(H,25,30)
InChIKeyGDMIAXMWLLOYIV-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.77
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide (PubChem CID 20919702) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide
PubChem CID20919702
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide
SMILESCc1nn(C(C)C(=O)NCCC2=CCCCC2)c(=O)c2nn(-c3ccccc3)c(C)c12
InChIInChI=1S/C24H29N5O2/c1-16-21-17(2)28(20-12-8-5-9-13-20)27-22(21)24(31)29(26-16)18(3)23(30)25-15-14-19-10-6-4-7-11-19/h5,8-10,12-13,18H,4,6-7,11,14-15H2,1-3H3,(H,25,30)
InChIKeyGDMIAXMWLLOYIV-UHFFFAOYSA-N
XLogP3.77
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
Adb-butinaca
CID 155907792
AB-Chminaca
CID 44206133
AB-Pinaca
CID 71301472
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86567422
5-Fluoro-AB-pinaca, (A+-)-
CID 102144602
Adb-fubinaca
CID 58124399
App-butinaca
CID 154735174
N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86280478
Adb-chminaca
CID 68894304
5-Fluoro-AB-PINACA
CID 91936927
N-(1-(Aminocarbonyl)-2-methylpropyl)-1-(cyclohexylmethyl)-1H-indazole-3-carboxamide
CID 70969900

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide (CID 20919702) is N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide is Cc1nn(C(C)C(=O)NCCC2=CCCCC2)c(=O)c2nn(-c3ccccc3)c(C)c12.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide?
The InChIKey is GDMIAXMWLLOYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-16-21-17(2)28(20-12-8-5-9-13-20)27-22(21)24(31)29(26-16)18(3)23(30)25-15-14-19-10-6-4-7-11-19/h5,8-10,12-13,18H,4,6-7,11,14-15H2,1-3H3,(H,25,30).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide has a molecular weight of 419.53 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide is sourced from PubChem (CID 20919702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).