2-(2-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide

C24H24N6O3 — CID 139465947

IUPAC2-(2-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide
SMILESCOc1ccccc1-c1cn2nccc(C(=O)Nc3cnccc3N3CCOC(C)C3)c2n1
InChIInChI=1S/C24H24N6O3/c1-16-14-29(11-12-33-16)21-8-9-25-13-19(21)28-24(31)18-7-10-26-30-15-20(27-23(18)30)17-5-3-4-6-22(17)32-2/h3-10,13,15-16H,11-12,14H2,1-2H3,(H,28,31)
InChIKeySPTOLQPXVZHQQD-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.28
Rot. Bonds5

About 2-(2-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide

2-(2-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 139465947) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID139465947
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name2-(2-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide
SMILESCOc1ccccc1-c1cn2nccc(C(=O)Nc3cnccc3N3CCOC(C)C3)c2n1
InChIInChI=1S/C24H24N6O3/c1-16-14-29(11-12-33-16)21-8-9-25-13-19(21)28-24(31)18-7-10-26-30-15-20(27-23(18)30)17-5-3-4-6-22(17)32-2/h3-10,13,15-16H,11-12,14H2,1-2H3,(H,28,31)
InChIKeySPTOLQPXVZHQQD-UHFFFAOYSA-N
XLogP3.28
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide (CID 139465947) is 2-(2-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide is COc1ccccc1-c1cn2nccc(C(=O)Nc3cnccc3N3CCOC(C)C3)c2n1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is SPTOLQPXVZHQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-16-14-29(11-12-33-16)21-8-9-25-13-19(21)28-24(31)18-7-10-26-30-15-20(27-23(18)30)17-5-3-4-6-22(17)32-2/h3-10,13,15-16H,11-12,14H2,1-2H3,(H,28,31).
What are the key properties of 2-(2-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide?
2-(2-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 139465947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).