N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C17H19N7O2 — CID 118061534

IUPACN-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnc3cccnn23)c(N2CCC(C)(C)C2=O)n1
InChIInChI=1S/C17H19N7O2/c1-17(2)6-8-23(16(17)26)14-11(10-22(3)21-14)20-15(25)12-9-18-13-5-4-7-19-24(12)13/h4-5,7,9-10H,6,8H2,1-3H3,(H,20,25)
InChIKeyYOLIALDZXGYGKJ-UHFFFAOYSA-N
MW353.39 g/mol
LogP1.48
Rot. Bonds3

About N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide

N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 118061534) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID118061534
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC NameN-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnc3cccnn23)c(N2CCC(C)(C)C2=O)n1
InChIInChI=1S/C17H19N7O2/c1-17(2)6-8-23(16(17)26)14-11(10-22(3)21-14)20-15(25)12-9-18-13-5-4-7-19-24(12)13/h4-5,7,9-10H,6,8H2,1-3H3,(H,20,25)
InChIKeyYOLIALDZXGYGKJ-UHFFFAOYSA-N
XLogP1.48
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 118061534) is N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is Cn1cc(NC(=O)c2cnc3cccnn23)c(N2CCC(C)(C)C2=O)n1.
What is the InChIKey of N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is YOLIALDZXGYGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-17(2)6-8-23(16(17)26)14-11(10-22(3)21-14)20-15(25)12-9-18-13-5-4-7-19-24(12)13/h4-5,7,9-10H,6,8H2,1-3H3,(H,20,25).
What are the key properties of N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 118061534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).