N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C20H24N8O2 — CID 71778533

IUPACN-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3ccc(N4CCCC4)nn3)n2)n1
InChIInChI=1S/C20H24N8O2/c1-14-13-15(2)28(24-14)18-7-8-19(29)27(25-18)12-9-21-20(30)16-5-6-17(23-22-16)26-10-3-4-11-26/h5-8,13H,3-4,9-12H2,1-2H3,(H,21,30)
InChIKeyHYXYGERJEFCDKD-UHFFFAOYSA-N
MW408.47 g/mol
LogP0.87
Rot. Bonds6

About N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 71778533) has the molecular formula C20H24N8O2 and a molecular weight of 408.47 g/mol. Its IUPAC name is N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID71778533
Molecular FormulaC20H24N8O2
Molecular Weight408.47 g/mol
Exact Mass408.20
IUPAC NameN-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3ccc(N4CCCC4)nn3)n2)n1
InChIInChI=1S/C20H24N8O2/c1-14-13-15(2)28(24-14)18-7-8-19(29)27(25-18)12-9-21-20(30)16-5-6-17(23-22-16)26-10-3-4-11-26/h5-8,13H,3-4,9-12H2,1-2H3,(H,21,30)
InChIKeyHYXYGERJEFCDKD-UHFFFAOYSA-N
XLogP0.87
TPSA110.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 71778533) is N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3ccc(N4CCCC4)nn3)n2)n1.
What is the InChIKey of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is HYXYGERJEFCDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O2/c1-14-13-15(2)28(24-14)18-7-8-19(29)27(25-18)12-9-21-20(30)16-5-6-17(23-22-16)26-10-3-4-11-26/h5-8,13H,3-4,9-12H2,1-2H3,(H,21,30).
What are the key properties of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 408.47 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 71778533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).