N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]acetamide

C17H17N9O — CID 62706655

IUPACN-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2c(Nc3ccn(C)n3)nc3cccnn23)nc(C)n1
InChIInChI=1S/C17H17N9O/c1-10-19-12(9-14(20-10)21-11(2)27)16-17(22-13-6-8-25(3)24-13)23-15-5-4-7-18-26(15)16/h4-9H,1-3H3,(H,22,24)(H,19,20,21,27)
InChIKeyCWCIJIQAVFNXDY-UHFFFAOYSA-N
MW363.39 g/mol
LogP1.93
Rot. Bonds4

About N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]acetamide

N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]acetamide (PubChem CID 62706655) has the molecular formula C17H17N9O and a molecular weight of 363.39 g/mol. Its IUPAC name is N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]acetamide
PubChem CID62706655
Molecular FormulaC17H17N9O
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC NameN-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2c(Nc3ccn(C)n3)nc3cccnn23)nc(C)n1
InChIInChI=1S/C17H17N9O/c1-10-19-12(9-14(20-10)21-11(2)27)16-17(22-13-6-8-25(3)24-13)23-15-5-4-7-18-26(15)16/h4-9H,1-3H3,(H,22,24)(H,19,20,21,27)
InChIKeyCWCIJIQAVFNXDY-UHFFFAOYSA-N
XLogP1.93
TPSA114.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]acetamide (CID 62706655) is N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(-c2c(Nc3ccn(C)n3)nc3cccnn23)nc(C)n1.
What is the InChIKey of N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]acetamide?
The InChIKey is CWCIJIQAVFNXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N9O/c1-10-19-12(9-14(20-10)21-11(2)27)16-17(22-13-6-8-25(3)24-13)23-15-5-4-7-18-26(15)16/h4-9H,1-3H3,(H,22,24)(H,19,20,21,27).
What are the key properties of N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]acetamide?
N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]acetamide has a molecular weight of 363.39 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 62706655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).