N-(4,5-dimethyl-1H-pyrazolo[5,4-c]pyridazin-3-yl)-2-phenyloxolane-2-carboxamide

C18H19N5O2 — CID 167827597

IUPACN-(4,5-dimethyl-1H-pyrazolo[5,4-c]pyridazin-3-yl)-2-phenyloxolane-2-carboxamide
SMILESCc1nnc2[nH]nc(NC(=O)C3(c4ccccc4)CCCO3)c2c1C
InChIInChI=1S/C18H19N5O2/c1-11-12(2)20-22-16-14(11)15(21-23-16)19-17(24)18(9-6-10-25-18)13-7-4-3-5-8-13/h3-5,7-8H,6,9-10H2,1-2H3,(H2,19,21,22,23,24)
InChIKeyVLRACMSHEZYRBU-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.61
Rot. Bonds3

About N-(4,5-dimethyl-1H-pyrazolo[5,4-c]pyridazin-3-yl)-2-phenyloxolane-2-carboxamide

N-(4,5-dimethyl-1H-pyrazolo[5,4-c]pyridazin-3-yl)-2-phenyloxolane-2-carboxamide (PubChem CID 167827597) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazolo[5,4-c]pyridazin-3-yl)-2-phenyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazolo[5,4-c]pyridazin-3-yl)-2-phenyloxolane-2-carboxamide
PubChem CID167827597
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-(4,5-dimethyl-1H-pyrazolo[5,4-c]pyridazin-3-yl)-2-phenyloxolane-2-carboxamide
SMILESCc1nnc2[nH]nc(NC(=O)C3(c4ccccc4)CCCO3)c2c1C
InChIInChI=1S/C18H19N5O2/c1-11-12(2)20-22-16-14(11)15(21-23-16)19-17(24)18(9-6-10-25-18)13-7-4-3-5-8-13/h3-5,7-8H,6,9-10H2,1-2H3,(H2,19,21,22,23,24)
InChIKeyVLRACMSHEZYRBU-UHFFFAOYSA-N
XLogP2.61
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methoxy-1H-indazol-3-yl)-2-phenyloxolane-2-carboxamide
CID 136564747
methyl (2R)-2-phenyloxolane-2-carboxylate
CID 167251855
methyl 2-phenyloxolane-2-carboxylate
CID 164680656
N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide
CID 136565347
N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-2-phenyloxolane-2-carboxamide
CID 136564104
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylcyclopentane-1-carboxamide
CID 43546852
4-phenyl-N-(2,4,6-trimethylphenyl)oxane-4-carboxamide
CID 27455998
bis(2-phenyl-1,3-dioxan-2-yl)methanone
CID 175026730
1-(2-phenyloxolane-2-carbonyl)piperidine-4-sulfonamide
CID 136563445
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-phenyloxane-4-carboxamide
CID 122356805
2-phenanthren-3-yloxolane-2-carboxylic acid
CID 174777759
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-phenylspiro[2.4]heptane-2-carboxamide
CID 86286558

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazolo[5,4-c]pyridazin-3-yl)-2-phenyloxolane-2-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazolo[5,4-c]pyridazin-3-yl)-2-phenyloxolane-2-carboxamide (CID 167827597) is N-(4,5-dimethyl-1H-pyrazolo[5,4-c]pyridazin-3-yl)-2-phenyloxolane-2-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazolo[5,4-c]pyridazin-3-yl)-2-phenyloxolane-2-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazolo[5,4-c]pyridazin-3-yl)-2-phenyloxolane-2-carboxamide is Cc1nnc2[nH]nc(NC(=O)C3(c4ccccc4)CCCO3)c2c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazolo[5,4-c]pyridazin-3-yl)-2-phenyloxolane-2-carboxamide?
The InChIKey is VLRACMSHEZYRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11-12(2)20-22-16-14(11)15(21-23-16)19-17(24)18(9-6-10-25-18)13-7-4-3-5-8-13/h3-5,7-8H,6,9-10H2,1-2H3,(H2,19,21,22,23,24).
What are the key properties of N-(4,5-dimethyl-1H-pyrazolo[5,4-c]pyridazin-3-yl)-2-phenyloxolane-2-carboxamide?
N-(4,5-dimethyl-1H-pyrazolo[5,4-c]pyridazin-3-yl)-2-phenyloxolane-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazolo[5,4-c]pyridazin-3-yl)-2-phenyloxolane-2-carboxamide is sourced from PubChem (CID 167827597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).