N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]imidazo[1,2-b]pyridazine-2-carboxamide

C17H24N6O2 — CID 156535679

IUPACN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]imidazo[1,2-b]pyridazine-2-carboxamide
SMILESCC(N)C(=O)N1CCC(C(C)NC(=O)c2cn3ncccc3n2)CC1
InChIInChI=1S/C17H24N6O2/c1-11(18)17(25)22-8-5-13(6-9-22)12(2)20-16(24)14-10-23-15(21-14)4-3-7-19-23/h3-4,7,10-13H,5-6,8-9,18H2,1-2H3,(H,20,24)
InChIKeyBFUXNKYINYBCLR-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.43
Rot. Bonds4

About N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]imidazo[1,2-b]pyridazine-2-carboxamide

N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]imidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 156535679) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]imidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]imidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID156535679
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]imidazo[1,2-b]pyridazine-2-carboxamide
SMILESCC(N)C(=O)N1CCC(C(C)NC(=O)c2cn3ncccc3n2)CC1
InChIInChI=1S/C17H24N6O2/c1-11(18)17(25)22-8-5-13(6-9-22)12(2)20-16(24)14-10-23-15(21-14)4-3-7-19-23/h3-4,7,10-13H,5-6,8-9,18H2,1-2H3,(H,20,24)
InChIKeyBFUXNKYINYBCLR-UHFFFAOYSA-N
XLogP0.43
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]imidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]imidazo[1,2-b]pyridazine-2-carboxamide (CID 156535679) is N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]imidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]imidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]imidazo[1,2-b]pyridazine-2-carboxamide is CC(N)C(=O)N1CCC(C(C)NC(=O)c2cn3ncccc3n2)CC1.
What is the InChIKey of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]imidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is BFUXNKYINYBCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-11(18)17(25)22-8-5-13(6-9-22)12(2)20-16(24)14-10-23-15(21-14)4-3-7-19-23/h3-4,7,10-13H,5-6,8-9,18H2,1-2H3,(H,20,24).
What are the key properties of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]imidazo[1,2-b]pyridazine-2-carboxamide?
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]imidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]imidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 156535679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).