2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyridine-4-carboxamide

C26H28N6O3 — CID 90456601

IUPAC2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1
InChIInChI=1S/C26H28N6O3/c1-17-4-5-19(29-25(33)18-6-7-27-23(14-18)26(2,3)34)15-20(17)21-16-22(31-10-12-35-13-11-31)24-28-8-9-32(24)30-21/h4-9,14-16,34H,10-13H2,1-3H3,(H,29,33)
InChIKeyDBCCYBRCXIDJHP-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.42
Rot. Bonds5

About 2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyridine-4-carboxamide

2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyridine-4-carboxamide (PubChem CID 90456601) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is 2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyridine-4-carboxamide
PubChem CID90456601
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC Name2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1
InChIInChI=1S/C26H28N6O3/c1-17-4-5-19(29-25(33)18-6-7-27-23(14-18)26(2,3)34)15-20(17)21-16-22(31-10-12-35-13-11-31)24-28-8-9-32(24)30-21/h4-9,14-16,34H,10-13H2,1-3H3,(H,29,33)
InChIKeyDBCCYBRCXIDJHP-UHFFFAOYSA-N
XLogP3.42
TPSA104.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyridine-4-carboxamide (CID 90456601) is 2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1.
What is the InChIKey of 2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is DBCCYBRCXIDJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-17-4-5-19(29-25(33)18-6-7-27-23(14-18)26(2,3)34)15-20(17)21-16-22(31-10-12-35-13-11-31)24-28-8-9-32(24)30-21/h4-9,14-16,34H,10-13H2,1-3H3,(H,29,33).
What are the key properties of 2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyridine-4-carboxamide?
2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 90456601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).