4-[3-(3-amino-1,2-benzoxazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylpiperazine-1-carboxamide

C20H22N8O2 — CID 134158161

IUPAC4-[3-(3-amino-1,2-benzoxazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(c2ccc3ncc(-c4ccc5onc(N)c5c4)n3n2)CC1
InChIInChI=1S/C20H22N8O2/c1-25(2)20(29)27-9-7-26(8-10-27)18-6-5-17-22-12-15(28(17)23-18)13-3-4-16-14(11-13)19(21)24-30-16/h3-6,11-12H,7-10H2,1-2H3,(H2,21,24)
InChIKeyRXTRFCWDHMCOIO-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.92
Rot. Bonds2

About 4-[3-(3-amino-1,2-benzoxazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylpiperazine-1-carboxamide

4-[3-(3-amino-1,2-benzoxazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 134158161) has the molecular formula C20H22N8O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 4-[3-(3-amino-1,2-benzoxazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(3-amino-1,2-benzoxazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID134158161
Molecular FormulaC20H22N8O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name4-[3-(3-amino-1,2-benzoxazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(c2ccc3ncc(-c4ccc5onc(N)c5c4)n3n2)CC1
InChIInChI=1S/C20H22N8O2/c1-25(2)20(29)27-9-7-26(8-10-27)18-6-5-17-22-12-15(28(17)23-18)13-3-4-16-14(11-13)19(21)24-30-16/h3-6,11-12H,7-10H2,1-2H3,(H2,21,24)
InChIKeyRXTRFCWDHMCOIO-UHFFFAOYSA-N
XLogP1.92
TPSA109.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-amino-1,2-benzoxazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[3-(3-amino-1,2-benzoxazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylpiperazine-1-carboxamide (CID 134158161) is 4-[3-(3-amino-1,2-benzoxazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[3-(3-amino-1,2-benzoxazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[3-(3-amino-1,2-benzoxazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(c2ccc3ncc(-c4ccc5onc(N)c5c4)n3n2)CC1.
What is the InChIKey of 4-[3-(3-amino-1,2-benzoxazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is RXTRFCWDHMCOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O2/c1-25(2)20(29)27-9-7-26(8-10-27)18-6-5-17-22-12-15(28(17)23-18)13-3-4-16-14(11-13)19(21)24-30-16/h3-6,11-12H,7-10H2,1-2H3,(H2,21,24).
What are the key properties of 4-[3-(3-amino-1,2-benzoxazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylpiperazine-1-carboxamide?
4-[3-(3-amino-1,2-benzoxazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-amino-1,2-benzoxazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 134158161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).