[6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6,8-dibromoimidazo[1,2-b]pyridazine

C22H18Br3N9O2 — CID 157294637

IUPAC[6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6,8-dibromoimidazo[1,2-b]pyridazine
SMILESBrc1cc(Br)c2nccn2n1.O=C(c1ccc(Nc2cc(Br)nn3ccnc23)nc1)N1CCOCC1
InChIInChI=1S/C16H15BrN6O2.C6H3Br2N3/c17-13-9-12(15-18-3-4-23(15)21-13)20-14-2-1-11(10-19-14)16(24)22-5-7-25-8-6-22;7-4-3-5(8)10-11-2-1-9-6(4)11/h1-4,9-10H,5-8H2,(H,19,20);1-3H
InChIKeyBBEZULIPBJDPTN-UHFFFAOYSA-N
MW680.16 g/mol
LogP4.36
Rot. Bonds3

About [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6,8-dibromoimidazo[1,2-b]pyridazine

[6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6,8-dibromoimidazo[1,2-b]pyridazine (PubChem CID 157294637) has the molecular formula C22H18Br3N9O2 and a molecular weight of 680.16 g/mol. Its IUPAC name is [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6,8-dibromoimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name[6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6,8-dibromoimidazo[1,2-b]pyridazine
PubChem CID157294637
Molecular FormulaC22H18Br3N9O2
Molecular Weight680.16 g/mol
Exact Mass676.91
IUPAC Name[6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6,8-dibromoimidazo[1,2-b]pyridazine
SMILESBrc1cc(Br)c2nccn2n1.O=C(c1ccc(Nc2cc(Br)nn3ccnc23)nc1)N1CCOCC1
InChIInChI=1S/C16H15BrN6O2.C6H3Br2N3/c17-13-9-12(15-18-3-4-23(15)21-13)20-14-2-1-11(10-19-14)16(24)22-5-7-25-8-6-22;7-4-3-5(8)10-11-2-1-9-6(4)11/h1-4,9-10H,5-8H2,(H,19,20);1-3H
InChIKeyBBEZULIPBJDPTN-UHFFFAOYSA-N
XLogP4.36
TPSA114.84 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500680.16
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6,8-dibromoimidazo[1,2-b]pyridazine with MolForge

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Related Compounds

[6-(3,5-dichloroanilino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153503
morpholin-4-yl-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]methanone
CID 109153485
[6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]methoxy]silane;[6-[[6-[2-(hydroxymethyl)benzene-3-id-1-yl]imidazo[1,2-b]pyridazin-8-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone;methane;bis(yttrium)
CID 158896100
methyl 4-chloro-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]benzoate
CID 109153479
6-bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-morpholin-4-ylmethanone
CID 160724807
[6-(2,3-dihydro-1H-inden-5-ylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 4582787
(6-hydrazinyl-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 62968732
[6-[[4-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 141220618
morpholin-4-yl(pyridazin-4-yl)methanone
CID 115736040
morpholin-4-yl-[6-(2-pyrazol-1-ylethylamino)-3-pyridinyl]methanone
CID 134700155
(3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone
CID 46738891
5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridin-2-one;1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
CID 160688493

Frequently Asked Questions

What is the IUPAC name of [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6,8-dibromoimidazo[1,2-b]pyridazine?
The IUPAC name of [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6,8-dibromoimidazo[1,2-b]pyridazine (CID 157294637) is [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6,8-dibromoimidazo[1,2-b]pyridazine.
What is the SMILES notation for [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6,8-dibromoimidazo[1,2-b]pyridazine?
The canonical SMILES for [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6,8-dibromoimidazo[1,2-b]pyridazine is Brc1cc(Br)c2nccn2n1.O=C(c1ccc(Nc2cc(Br)nn3ccnc23)nc1)N1CCOCC1.
What is the InChIKey of [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6,8-dibromoimidazo[1,2-b]pyridazine?
The InChIKey is BBEZULIPBJDPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN6O2.C6H3Br2N3/c17-13-9-12(15-18-3-4-23(15)21-13)20-14-2-1-11(10-19-14)16(24)22-5-7-25-8-6-22;7-4-3-5(8)10-11-2-1-9-6(4)11/h1-4,9-10H,5-8H2,(H,19,20);1-3H.
What are the key properties of [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6,8-dibromoimidazo[1,2-b]pyridazine?
[6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6,8-dibromoimidazo[1,2-b]pyridazine has a molecular weight of 680.16 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(6-bromoimidazo[1,2-b]pyridazin-8-yl)amino]-3-pyridinyl]-morpholin-4-ylmethanone;6,8-dibromoimidazo[1,2-b]pyridazine is sourced from PubChem (CID 157294637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).