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

C26H28N6O2 — CID 90463500

IUPACN-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-propan-2-ylpyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)C)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1
InChIInChI=1S/C26H28N6O2/c1-17(2)22-14-19(6-7-27-22)26(33)29-20-5-4-18(3)21(15-20)23-16-24(31-10-12-34-13-11-31)25-28-8-9-32(25)30-23/h4-9,14-17H,10-13H2,1-3H3,(H,29,33)
InChIKeyMILPDEPRDAKOOR-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.31
Rot. Bonds5

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

N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-propan-2-ylpyridine-4-carboxamide (PubChem CID 90463500) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-propan-2-ylpyridine-4-carboxamide
PubChem CID90463500
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC NameN-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-propan-2-ylpyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)C)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1
InChIInChI=1S/C26H28N6O2/c1-17(2)22-14-19(6-7-27-22)26(33)29-20-5-4-18(3)21(15-20)23-16-24(31-10-12-34-13-11-31)25-28-8-9-32(25)30-23/h4-9,14-17H,10-13H2,1-3H3,(H,29,33)
InChIKeyMILPDEPRDAKOOR-UHFFFAOYSA-N
XLogP4.31
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-propan-2-ylpyridine-4-carboxamide (CID 90463500) is N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-propan-2-ylpyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)C)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1.
What is the InChIKey of N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-propan-2-ylpyridine-4-carboxamide?
The InChIKey is MILPDEPRDAKOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-17(2)22-14-19(6-7-27-22)26(33)29-20-5-4-18(3)21(15-20)23-16-24(31-10-12-34-13-11-31)25-28-8-9-32(25)30-23/h4-9,14-17H,10-13H2,1-3H3,(H,29,33).
What are the key properties of N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-propan-2-ylpyridine-4-carboxamide?
N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-propan-2-ylpyridine-4-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 90463500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).