6-(2-cyanophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyanophenyl)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide;ethane

C45H39N13O3 — CID 144734857

IUPAC6-(2-cyanophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyanophenyl)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide;ethane
SMILESCC.N#Cc1ccccc1-c1ccc2ncc(C(=O)Nc3cccc(CN4CCOCC4)n3)n2n1.N#Cc1ccccc1-c1ccc2ncc(C(=O)Nc3ccncc3)n2n1
InChIInChI=1S/C24H21N7O2.C19H12N6O.C2H6/c25-14-17-4-1-2-6-19(17)20-8-9-23-26-15-21(31(23)29-20)24(32)28-22-7-3-5-18(27-22)16-30-10-12-33-13-11-30;20-11-13-3-1-2-4-15(13)16-5-6-18-22-12-17(25(18)24-16)19(26)23-14-7-9-21-10-8-14;1-2/h1-9,15H,10-13,16H2,(H,27,28,32);1-10,12H,(H,21,23,26);1-2H3
InChIKeyGBUCDCPQJQNBSP-UHFFFAOYSA-N
MW809.90 g/mol
LogP6.69
Rot. Bonds8

About 6-(2-cyanophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyanophenyl)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide;ethane

6-(2-cyanophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyanophenyl)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide;ethane (PubChem CID 144734857) has the molecular formula C45H39N13O3 and a molecular weight of 809.90 g/mol. Its IUPAC name is 6-(2-cyanophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyanophenyl)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide;ethane.

Molecular Properties

Compound Name6-(2-cyanophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyanophenyl)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide;ethane
PubChem CID144734857
Molecular FormulaC45H39N13O3
Molecular Weight809.90 g/mol
Exact Mass809.33
IUPAC Name6-(2-cyanophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyanophenyl)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide;ethane
SMILESCC.N#Cc1ccccc1-c1ccc2ncc(C(=O)Nc3cccc(CN4CCOCC4)n3)n2n1.N#Cc1ccccc1-c1ccc2ncc(C(=O)Nc3ccncc3)n2n1
InChIInChI=1S/C24H21N7O2.C19H12N6O.C2H6/c25-14-17-4-1-2-6-19(17)20-8-9-23-26-15-21(31(23)29-20)24(32)28-22-7-3-5-18(27-22)16-30-10-12-33-13-11-30;20-11-13-3-1-2-4-15(13)16-5-6-18-22-12-17(25(18)24-16)19(26)23-14-7-9-21-10-8-14;1-2/h1-9,15H,10-13,16H2,(H,27,28,32);1-10,12H,(H,21,23,26);1-2H3
InChIKeyGBUCDCPQJQNBSP-UHFFFAOYSA-N
XLogP6.69
TPSA204.41 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500809.90
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 6-(2-cyanophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyanophenyl)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide;ethane with MolForge

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Related Compounds

N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 71525570
N-[6-(azetidin-1-yl)-2-pyridinyl]-6-(2-chlorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 71525583
N-(4,6-dimethyl-2-pyridinyl)-6-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide;ethane;6-(2-fluorophenyl)-N-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 144734910
tert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate
CID 67025080
2-(2-fluorophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 58278746
N-methyl-6-(morpholin-4-ylmethyl)pyridin-2-amine
CID 79242984
ethane;8-[1-hydroxy-3-[2-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]pyrimidin-4-yl]oxypropan-2-yl]oxy-7-methyl-N-(6-morpholin-4-yl-2-pyridinyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 144734842
trans-(1R,2R)-2-(2-methylphenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide
CID 138034933
1-[2-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-yl]-3-[6-(morpholin-4-ylmethyl)-2-pyridinyl]urea
CID 18771618
3-amino-6-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyridin-4-ylpyrazine-2-carboxamide
CID 71061475
N-(4,6-dimethyl-2-pyridinyl)-6-[2-(3-hydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 144734852
2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(4-pyridin-4-ylphenyl)thiophene-3-carboxamide
CID 25124467

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyanophenyl)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide;ethane?
The IUPAC name of 6-(2-cyanophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyanophenyl)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide;ethane (CID 144734857) is 6-(2-cyanophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyanophenyl)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide;ethane.
What is the SMILES notation for 6-(2-cyanophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyanophenyl)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide;ethane?
The canonical SMILES for 6-(2-cyanophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyanophenyl)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide;ethane is CC.N#Cc1ccccc1-c1ccc2ncc(C(=O)Nc3cccc(CN4CCOCC4)n3)n2n1.N#Cc1ccccc1-c1ccc2ncc(C(=O)Nc3ccncc3)n2n1.
What is the InChIKey of 6-(2-cyanophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyanophenyl)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide;ethane?
The InChIKey is GBUCDCPQJQNBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2.C19H12N6O.C2H6/c25-14-17-4-1-2-6-19(17)20-8-9-23-26-15-21(31(23)29-20)24(32)28-22-7-3-5-18(27-22)16-30-10-12-33-13-11-30;20-11-13-3-1-2-4-15(13)16-5-6-18-22-12-17(25(18)24-16)19(26)23-14-7-9-21-10-8-14;1-2/h1-9,15H,10-13,16H2,(H,27,28,32);1-10,12H,(H,21,23,26);1-2H3.
What are the key properties of 6-(2-cyanophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyanophenyl)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide;ethane?
6-(2-cyanophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyanophenyl)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide;ethane has a molecular weight of 809.90 g/mol, XLogP of 6.69, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyanophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide;6-(2-cyanophenyl)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide;ethane is sourced from PubChem (CID 144734857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).