N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C24H24N10O2 — CID 59233239

IUPACN-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCN(C)C(=O)Cn1cc(-c2ccc3nnn(Cc4ccc5nc(NC(=O)C6CC6)cn5n4)c3c2)cn1
InChIInChI=1S/C24H24N10O2/c1-31(2)23(35)14-32-11-17(10-25-32)16-5-7-19-20(9-16)33(30-28-19)12-18-6-8-22-26-21(13-34(22)29-18)27-24(36)15-3-4-15/h5-11,13,15H,3-4,12,14H2,1-2H3,(H,27,36)
InChIKeyDAXJTMVTYGJLIT-UHFFFAOYSA-N
MW484.52 g/mol
LogP1.82
Rot. Bonds7

About N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233239) has the molecular formula C24H24N10O2 and a molecular weight of 484.52 g/mol. Its IUPAC name is N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59233239
Molecular FormulaC24H24N10O2
Molecular Weight484.52 g/mol
Exact Mass484.21
IUPAC NameN-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCN(C)C(=O)Cn1cc(-c2ccc3nnn(Cc4ccc5nc(NC(=O)C6CC6)cn5n4)c3c2)cn1
InChIInChI=1S/C24H24N10O2/c1-31(2)23(35)14-32-11-17(10-25-32)16-5-7-19-20(9-16)33(30-28-19)12-18-6-8-22-26-21(13-34(22)29-18)27-24(36)15-3-4-15/h5-11,13,15H,3-4,12,14H2,1-2H3,(H,27,36)
InChIKeyDAXJTMVTYGJLIT-UHFFFAOYSA-N
XLogP1.82
TPSA128.13 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233239) is N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is CN(C)C(=O)Cn1cc(-c2ccc3nnn(Cc4ccc5nc(NC(=O)C6CC6)cn5n4)c3c2)cn1.
What is the InChIKey of N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is DAXJTMVTYGJLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N10O2/c1-31(2)23(35)14-32-11-17(10-25-32)16-5-7-19-20(9-16)33(30-28-19)12-18-6-8-22-26-21(13-34(22)29-18)27-24(36)15-3-4-15/h5-11,13,15H,3-4,12,14H2,1-2H3,(H,27,36).
What are the key properties of N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 484.52 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzotriazol-1-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59233239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).