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

C20H21N7O2 — CID 70798571

IUPAC6-(2-amino-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCN1CCC(NC(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)nn23)CC1
InChIInChI=1S/C20H21N7O2/c1-26-8-6-13(7-9-26)23-19(28)16-11-22-18-5-3-14(25-27(16)18)12-2-4-17-15(10-12)24-20(21)29-17/h2-5,10-11,13H,6-9H2,1H3,(H2,21,24)(H,23,28)
InChIKeyLBPDVFVVCPERQL-UHFFFAOYSA-N
MW391.44 g/mol
LogP1.94
Rot. Bonds3

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

6-(2-amino-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 70798571) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 6-(2-amino-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-amino-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID70798571
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name6-(2-amino-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCN1CCC(NC(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)nn23)CC1
InChIInChI=1S/C20H21N7O2/c1-26-8-6-13(7-9-26)23-19(28)16-11-22-18-5-3-14(25-27(16)18)12-2-4-17-15(10-12)24-20(21)29-17/h2-5,10-11,13H,6-9H2,1H3,(H2,21,24)(H,23,28)
InChIKeyLBPDVFVVCPERQL-UHFFFAOYSA-N
XLogP1.94
TPSA114.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-(2-amino-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 70798571) is 6-(2-amino-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-amino-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-amino-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide is CN1CCC(NC(=O)c2cnc3ccc(-c4ccc5oc(N)nc5c4)nn23)CC1.
What is the InChIKey of 6-(2-amino-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is LBPDVFVVCPERQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-26-8-6-13(7-9-26)23-19(28)16-11-22-18-5-3-14(25-27(16)18)12-2-4-17-15(10-12)24-20(21)29-17/h2-5,10-11,13H,6-9H2,1H3,(H2,21,24)(H,23,28).
What are the key properties of 6-(2-amino-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
6-(2-amino-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 391.44 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 70798571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).