N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C24H22F2N10O2 — CID 59232985

IUPACN-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCN(C)C(=O)Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1
InChIInChI=1S/C24H22F2N10O2/c1-33(2)21(37)13-34-10-16(9-27-34)15-5-7-20-30-31-23(35(20)11-15)24(25,26)17-6-8-19-28-18(12-36(19)32-17)29-22(38)14-3-4-14/h5-12,14H,3-4,13H2,1-2H3,(H,29,38)
InChIKeyNCLKCPMYTVJAFM-UHFFFAOYSA-N
MW520.50 g/mol
LogP2.21
Rot. Bonds7

About N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59232985) has the molecular formula C24H22F2N10O2 and a molecular weight of 520.50 g/mol. Its IUPAC name is N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59232985
Molecular FormulaC24H22F2N10O2
Molecular Weight520.50 g/mol
Exact Mass520.19
IUPAC NameN-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCN(C)C(=O)Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1
InChIInChI=1S/C24H22F2N10O2/c1-33(2)21(37)13-34-10-16(9-27-34)15-5-7-20-30-31-23(35(20)11-15)24(25,26)17-6-8-19-28-18(12-36(19)32-17)29-22(38)14-3-4-14/h5-12,14H,3-4,13H2,1-2H3,(H,29,38)
InChIKeyNCLKCPMYTVJAFM-UHFFFAOYSA-N
XLogP2.21
TPSA127.61 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.50
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]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]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59232985) is N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]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]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is CN(C)C(=O)Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1.
What is the InChIKey of N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is NCLKCPMYTVJAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N10O2/c1-33(2)21(37)13-34-10-16(9-27-34)15-5-7-20-30-31-23(35(20)11-15)24(25,26)17-6-8-19-28-18(12-36(19)32-17)29-22(38)14-3-4-14/h5-12,14H,3-4,13H2,1-2H3,(H,29,38).
What are the key properties of N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 520.50 g/mol, XLogP of 2.21, 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]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59232985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).