2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide

C26H26N8O2 — CID 130416858

IUPAC2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1
InChIInChI=1S/C26H26N8O2/c1-17-20(21-14-22(33-8-10-36-11-9-33)24-29-6-7-34(24)32-21)13-19(15-30-17)31-25(35)18-4-5-28-23(12-18)26(2,3)16-27/h4-7,12-15H,8-11H2,1-3H3,(H,31,35)
InChIKeyLNMVIIHXFUURHT-UHFFFAOYSA-N
MW482.55 g/mol
LogP3.38
Rot. Bonds5

About 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide

2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 130416858) has the molecular formula C26H26N8O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide
PubChem CID130416858
Molecular FormulaC26H26N8O2
Molecular Weight482.55 g/mol
Exact Mass482.22
IUPAC Name2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1
InChIInChI=1S/C26H26N8O2/c1-17-20(21-14-22(33-8-10-36-11-9-33)24-29-6-7-34(24)32-21)13-19(15-30-17)31-25(35)18-4-5-28-23(12-18)26(2,3)16-27/h4-7,12-15H,8-11H2,1-3H3,(H,31,35)
InChIKeyLNMVIIHXFUURHT-UHFFFAOYSA-N
XLogP3.38
TPSA121.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide (CID 130416858) is 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide is Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1.
What is the InChIKey of 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is LNMVIIHXFUURHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O2/c1-17-20(21-14-22(33-8-10-36-11-9-33)24-29-6-7-34(24)32-21)13-19(15-30-17)31-25(35)18-4-5-28-23(12-18)26(2,3)16-27/h4-7,12-15H,8-11H2,1-3H3,(H,31,35).
What are the key properties of 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide?
2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 482.55 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 130416858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).