azetidin-1-yl-[3-(1,3-benzoxazol-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone;3-(4-cyano-2-fluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;3-(5-cyano-2-methylphenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;N-cyclopropyl-3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-b]pyridazine-2-carboxamide

C68H53FN22O5 — CID 160728601

IUPACazetidin-1-yl-[3-(1,3-benzoxazol-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone;3-(4-cyano-2-fluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;3-(5-cyano-2-methylphenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;N-cyclopropyl-3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-b]pyridazine-2-carboxamide
SMILESCc1ccc(C#N)cc1-c1c(C(=O)NC2CC2)nc2cccnn12.N#Cc1ccc(-c2c(C(=O)NC3CC3)nc3cccnn23)c(F)c1.O=C(NC1CC1)c1nc2cccnn2c1-c1cnc2ccnn2c1.O=C(c1nc2cccnn2c1-c1ccc2ncoc2c1)N1CCC1
InChIInChI=1S/C18H15N5O.C17H12FN5O.C17H13N5O2.C16H13N7O/c1-11-4-5-12(10-19)9-14(11)17-16(18(24)21-13-6-7-13)22-15-3-2-8-20-23(15)17;18-13-8-10(9-19)3-6-12(13)16-15(17(24)21-11-4-5-11)22-14-2-1-7-20-23(14)16;23-17(21-7-2-8-21)15-16(22-14(20-15)3-1-6-19-22)11-4-5-12-13(9-11)24-10-18-12;24-16(20-11-3-4-11)14-15(23-13(21-14)2-1-6-19-23)10-8-17-12-5-7-18-22(12)9-10/h2-5,8-9,13H,6-7H2,1H3,(H,21,24);1-3,6-8,11H,4-5H2,(H,21,24);1,3-6,9-10H,2,7-8H2;1-2,5-9,11H,3-4H2,(H,20,24)
InChIKeyRUAOQMFAVIVGET-UHFFFAOYSA-N
MW1277.32 g/mol
LogP8.48
Rot. Bonds11

About azetidin-1-yl-[3-(1,3-benzoxazol-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone;3-(4-cyano-2-fluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;3-(5-cyano-2-methylphenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;N-cyclopropyl-3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-b]pyridazine-2-carboxamide

azetidin-1-yl-[3-(1,3-benzoxazol-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone;3-(4-cyano-2-fluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;3-(5-cyano-2-methylphenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;N-cyclopropyl-3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 160728601) has the molecular formula C68H53FN22O5 and a molecular weight of 1277.32 g/mol. Its IUPAC name is azetidin-1-yl-[3-(1,3-benzoxazol-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone;3-(4-cyano-2-fluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;3-(5-cyano-2-methylphenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;N-cyclopropyl-3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound Nameazetidin-1-yl-[3-(1,3-benzoxazol-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone;3-(4-cyano-2-fluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;3-(5-cyano-2-methylphenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;N-cyclopropyl-3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID160728601
Molecular FormulaC68H53FN22O5
Molecular Weight1277.32 g/mol
Exact Mass1276.46
IUPAC Nameazetidin-1-yl-[3-(1,3-benzoxazol-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone;3-(4-cyano-2-fluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;3-(5-cyano-2-methylphenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;N-cyclopropyl-3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-b]pyridazine-2-carboxamide
SMILESCc1ccc(C#N)cc1-c1c(C(=O)NC2CC2)nc2cccnn12.N#Cc1ccc(-c2c(C(=O)NC3CC3)nc3cccnn23)c(F)c1.O=C(NC1CC1)c1nc2cccnn2c1-c1cnc2ccnn2c1.O=C(c1nc2cccnn2c1-c1ccc2ncoc2c1)N1CCC1
InChIInChI=1S/C18H15N5O.C17H12FN5O.C17H13N5O2.C16H13N7O/c1-11-4-5-12(10-19)9-14(11)17-16(18(24)21-13-6-7-13)22-15-3-2-8-20-23(15)17;18-13-8-10(9-19)3-6-12(13)16-15(17(24)21-11-4-5-11)22-14-2-1-7-20-23(14)16;23-17(21-7-2-8-21)15-16(22-14(20-15)3-1-6-19-22)11-4-5-12-13(9-11)24-10-18-12;24-16(20-11-3-4-11)14-15(23-13(21-14)2-1-6-19-23)10-8-17-12-5-7-18-22(12)9-10/h2-5,8-9,13H,6-7H2,1H3,(H,21,24);1-3,6-8,11H,4-5H2,(H,21,24);1,3-6,9-10H,2,7-8H2;1-2,5-9,11H,3-4H2,(H,20,24)
InChIKeyRUAOQMFAVIVGET-UHFFFAOYSA-N
XLogP8.48
TPSA332.17 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds11
Heavy Atoms96
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001277.32
LogP ≤ 58.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze azetidin-1-yl-[3-(1,3-benzoxazol-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone;3-(4-cyano-2-fluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;3-(5-cyano-2-methylphenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;N-cyclopropyl-3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-b]pyridazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[3-(1,3-benzoxazol-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone;3-(4-cyano-2-fluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;3-(5-cyano-2-methylphenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;N-cyclopropyl-3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of azetidin-1-yl-[3-(1,3-benzoxazol-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone;3-(4-cyano-2-fluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;3-(5-cyano-2-methylphenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;N-cyclopropyl-3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-b]pyridazine-2-carboxamide (CID 160728601) is azetidin-1-yl-[3-(1,3-benzoxazol-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone;3-(4-cyano-2-fluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;3-(5-cyano-2-methylphenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;N-cyclopropyl-3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for azetidin-1-yl-[3-(1,3-benzoxazol-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone;3-(4-cyano-2-fluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;3-(5-cyano-2-methylphenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;N-cyclopropyl-3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for azetidin-1-yl-[3-(1,3-benzoxazol-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone;3-(4-cyano-2-fluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;3-(5-cyano-2-methylphenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;N-cyclopropyl-3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-b]pyridazine-2-carboxamide is Cc1ccc(C#N)cc1-c1c(C(=O)NC2CC2)nc2cccnn12.N#Cc1ccc(-c2c(C(=O)NC3CC3)nc3cccnn23)c(F)c1.O=C(NC1CC1)c1nc2cccnn2c1-c1cnc2ccnn2c1.O=C(c1nc2cccnn2c1-c1ccc2ncoc2c1)N1CCC1.
What is the InChIKey of azetidin-1-yl-[3-(1,3-benzoxazol-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone;3-(4-cyano-2-fluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;3-(5-cyano-2-methylphenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;N-cyclopropyl-3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is RUAOQMFAVIVGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O.C17H12FN5O.C17H13N5O2.C16H13N7O/c1-11-4-5-12(10-19)9-14(11)17-16(18(24)21-13-6-7-13)22-15-3-2-8-20-23(15)17;18-13-8-10(9-19)3-6-12(13)16-15(17(24)21-11-4-5-11)22-14-2-1-7-20-23(14)16;23-17(21-7-2-8-21)15-16(22-14(20-15)3-1-6-19-22)11-4-5-12-13(9-11)24-10-18-12;24-16(20-11-3-4-11)14-15(23-13(21-14)2-1-6-19-23)10-8-17-12-5-7-18-22(12)9-10/h2-5,8-9,13H,6-7H2,1H3,(H,21,24);1-3,6-8,11H,4-5H2,(H,21,24);1,3-6,9-10H,2,7-8H2;1-2,5-9,11H,3-4H2,(H,20,24).
What are the key properties of azetidin-1-yl-[3-(1,3-benzoxazol-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone;3-(4-cyano-2-fluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;3-(5-cyano-2-methylphenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;N-cyclopropyl-3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-b]pyridazine-2-carboxamide?
azetidin-1-yl-[3-(1,3-benzoxazol-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone;3-(4-cyano-2-fluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;3-(5-cyano-2-methylphenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;N-cyclopropyl-3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 1277.32 g/mol, XLogP of 8.48, 11 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[3-(1,3-benzoxazol-6-yl)imidazo[1,2-b]pyridazin-2-yl]methanone;3-(4-cyano-2-fluorophenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;3-(5-cyano-2-methylphenyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;N-cyclopropyl-3-pyrazolo[1,5-a]pyrimidin-6-ylimidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 160728601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).