deuterio(fluoro)methane;4-morpholin-4-ylpyridin-3-amine;N-(4-morpholin-4-yl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxamide;2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxylic acid

C43H43FN14O5 — CID 161118622

IUPACdeuterio(fluoro)methane;4-morpholin-4-ylpyridin-3-amine;N-(4-morpholin-4-yl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxamide;2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxylic acid
SMILESNc1cnccc1N1CCOCC1.O=C(Nc1cnccc1N1CCOCC1)c1ccnn2cc(-c3cccnc3)nc12.O=C(O)c1ccnn2cc(-c3cccnc3)nc12.[2H]CF
InChIInChI=1S/C21H19N7O2.C12H8N4O2.C9H13N3O.CH3F/c29-21(26-17-13-23-6-4-19(17)27-8-10-30-11-9-27)16-3-7-24-28-14-18(25-20(16)28)15-2-1-5-22-12-15;17-12(18)9-3-5-14-16-7-10(15-11(9)16)8-2-1-4-13-6-8;10-8-7-11-2-1-9(8)12-3-5-13-6-4-12;1-2/h1-7,12-14H,8-11H2,(H,26,29);1-7H,(H,17,18);1-2,7H,3-6,10H2;1H3/i;;;1D
InChIKeyUKQOSHFXGCRIKE-PBJKEDEQSA-N
MW855.91 g/mol
LogP4.85
Rot. Bonds7

About deuterio(fluoro)methane;4-morpholin-4-ylpyridin-3-amine;N-(4-morpholin-4-yl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxamide;2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxylic acid

deuterio(fluoro)methane;4-morpholin-4-ylpyridin-3-amine;N-(4-morpholin-4-yl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxamide;2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxylic acid (PubChem CID 161118622) has the molecular formula C43H43FN14O5 and a molecular weight of 855.91 g/mol. Its IUPAC name is deuterio(fluoro)methane;4-morpholin-4-ylpyridin-3-amine;N-(4-morpholin-4-yl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxamide;2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxylic acid.

Molecular Properties

Compound Namedeuterio(fluoro)methane;4-morpholin-4-ylpyridin-3-amine;N-(4-morpholin-4-yl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxamide;2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxylic acid
PubChem CID161118622
Molecular FormulaC43H43FN14O5
Molecular Weight855.91 g/mol
Exact Mass855.36
IUPAC Namedeuterio(fluoro)methane;4-morpholin-4-ylpyridin-3-amine;N-(4-morpholin-4-yl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxamide;2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxylic acid
SMILESNc1cnccc1N1CCOCC1.O=C(Nc1cnccc1N1CCOCC1)c1ccnn2cc(-c3cccnc3)nc12.O=C(O)c1ccnn2cc(-c3cccnc3)nc12.[2H]CF
InChIInChI=1S/C21H19N7O2.C12H8N4O2.C9H13N3O.CH3F/c29-21(26-17-13-23-6-4-19(17)27-8-10-30-11-9-27)16-3-7-24-28-14-18(25-20(16)28)15-2-1-5-22-12-15;17-12(18)9-3-5-14-16-7-10(15-11(9)16)8-2-1-4-13-6-8;10-8-7-11-2-1-9(8)12-3-5-13-6-4-12;1-2/h1-7,12-14H,8-11H2,(H,26,29);1-7H,(H,17,18);1-2,7H,3-6,10H2;1H3/i;;;1D
InChIKeyUKQOSHFXGCRIKE-PBJKEDEQSA-N
XLogP4.85
TPSA229.30 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.91
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze deuterio(fluoro)methane;4-morpholin-4-ylpyridin-3-amine;N-(4-morpholin-4-yl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxamide;2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

5-(2-(2-fluoropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 67774901
5-(2-(2-fluoropyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 67775880
US10774086, Example 17
CID 134551553
US10774086, Example 13
CID 134551589
US10774086, Example 18
CID 134551945
N-[6-[5-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 75593277
N-(6-(4-(4-fluorophenyl)-1-(2-morpholinoethyl)-1H-imidazol-5-yl)imidazo[1,2-b] pyridazin-2-yl)-2-morpholinoisonicotinamide
CID 76282806
N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 76684550
N-[6-[3-(4-fluorophenyl)-1-methyl-5-piperidin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 90241277
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-morpholin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 90241355
2-Fluoro-N-(6-(2-(4-fluorophenyl)-6-morpholinoimidazo[1,2-a]pyridin-3-yl)imidazo[1,2-b]pyridazin-2-yl)isonicotinamide
CID 90241801
N-[6-[3-(4-fluorophenyl)-5-[1-(3-fluoropropyl)piperidin-4-yl]-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 90241963

Frequently Asked Questions

What is the IUPAC name of deuterio(fluoro)methane;4-morpholin-4-ylpyridin-3-amine;N-(4-morpholin-4-yl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxamide;2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxylic acid?
The IUPAC name of deuterio(fluoro)methane;4-morpholin-4-ylpyridin-3-amine;N-(4-morpholin-4-yl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxamide;2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxylic acid (CID 161118622) is deuterio(fluoro)methane;4-morpholin-4-ylpyridin-3-amine;N-(4-morpholin-4-yl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxamide;2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxylic acid.
What is the SMILES notation for deuterio(fluoro)methane;4-morpholin-4-ylpyridin-3-amine;N-(4-morpholin-4-yl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxamide;2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxylic acid?
The canonical SMILES for deuterio(fluoro)methane;4-morpholin-4-ylpyridin-3-amine;N-(4-morpholin-4-yl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxamide;2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxylic acid is Nc1cnccc1N1CCOCC1.O=C(Nc1cnccc1N1CCOCC1)c1ccnn2cc(-c3cccnc3)nc12.O=C(O)c1ccnn2cc(-c3cccnc3)nc12.[2H]CF.
What is the InChIKey of deuterio(fluoro)methane;4-morpholin-4-ylpyridin-3-amine;N-(4-morpholin-4-yl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxamide;2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxylic acid?
The InChIKey is UKQOSHFXGCRIKE-PBJKEDEQSA-N. The full InChI is InChI=1S/C21H19N7O2.C12H8N4O2.C9H13N3O.CH3F/c29-21(26-17-13-23-6-4-19(17)27-8-10-30-11-9-27)16-3-7-24-28-14-18(25-20(16)28)15-2-1-5-22-12-15;17-12(18)9-3-5-14-16-7-10(15-11(9)16)8-2-1-4-13-6-8;10-8-7-11-2-1-9(8)12-3-5-13-6-4-12;1-2/h1-7,12-14H,8-11H2,(H,26,29);1-7H,(H,17,18);1-2,7H,3-6,10H2;1H3/i;;;1D.
What are the key properties of deuterio(fluoro)methane;4-morpholin-4-ylpyridin-3-amine;N-(4-morpholin-4-yl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxamide;2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxylic acid?
deuterio(fluoro)methane;4-morpholin-4-ylpyridin-3-amine;N-(4-morpholin-4-yl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxamide;2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxylic acid has a molecular weight of 855.91 g/mol, XLogP of 4.85, 7 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio(fluoro)methane;4-morpholin-4-ylpyridin-3-amine;N-(4-morpholin-4-yl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxamide;2-pyridin-3-ylimidazo[1,2-b]pyridazine-8-carboxylic acid is sourced from PubChem (CID 161118622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).