[4-[(2-methylimidazo[1,2-b]pyridazin-7-yl)methyl]cyclohexyl]-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazolidin-2-yl]methanone

C22H27N5O2S — CID 172581991

IUPAC[4-[(2-methylimidazo[1,2-b]pyridazin-7-yl)methyl]cyclohexyl]-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazolidin-2-yl]methanone
SMILESCc1cn2ncc(CC3CCC(C(=O)N4OCC[C@H]4c4csc(C)n4)CC3)cc2n1
InChIInChI=1S/C22H27N5O2S/c1-14-12-26-21(24-14)10-17(11-23-26)9-16-3-5-18(6-4-16)22(28)27-20(7-8-29-27)19-13-30-15(2)25-19/h10-13,16,18,20H,3-9H2,1-2H3/t16?,18?,20-/m0/s1
InChIKeyOVZQISVENYSFKW-NLPFYKDJSA-N
MW425.56 g/mol
LogP4.06
Rot. Bonds4

About [4-[(2-methylimidazo[1,2-b]pyridazin-7-yl)methyl]cyclohexyl]-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazolidin-2-yl]methanone

[4-[(2-methylimidazo[1,2-b]pyridazin-7-yl)methyl]cyclohexyl]-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazolidin-2-yl]methanone (PubChem CID 172581991) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is [4-[(2-methylimidazo[1,2-b]pyridazin-7-yl)methyl]cyclohexyl]-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazolidin-2-yl]methanone.

Molecular Properties

Compound Name[4-[(2-methylimidazo[1,2-b]pyridazin-7-yl)methyl]cyclohexyl]-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazolidin-2-yl]methanone
PubChem CID172581991
Molecular FormulaC22H27N5O2S
Molecular Weight425.56 g/mol
Exact Mass425.19
IUPAC Name[4-[(2-methylimidazo[1,2-b]pyridazin-7-yl)methyl]cyclohexyl]-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazolidin-2-yl]methanone
SMILESCc1cn2ncc(CC3CCC(C(=O)N4OCC[C@H]4c4csc(C)n4)CC3)cc2n1
InChIInChI=1S/C22H27N5O2S/c1-14-12-26-21(24-14)10-17(11-23-26)9-16-3-5-18(6-4-16)22(28)27-20(7-8-29-27)19-13-30-15(2)25-19/h10-13,16,18,20H,3-9H2,1-2H3/t16?,18?,20-/m0/s1
InChIKeyOVZQISVENYSFKW-NLPFYKDJSA-N
XLogP4.06
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[(2-methylimidazo[1,2-b]pyridazin-7-yl)methyl]cyclohexyl]-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazolidin-2-yl]methanone with MolForge

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Related Compounds

[4-[(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone
CID 172581612
[4-[(5-chloro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone
CID 172581916
[4-[(5-fluoro-2-methyl-3-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone
CID 172582080
[4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone
CID 172582043
2-fluoro-5-[[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]benzamide
CID 172581735
[4-[(3,5-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone
CID 172582197
4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 172582162
(1-methylpyrazol-4-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97485259
[4-[(3,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(3-fluorophenyl)-1,2-oxazolidin-2-yl]methanone
CID 172581874
4-[(2-methylimidazo[1,2-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid
CID 172581833
2-[4-[(3S)-3-(2-cyano-1,3-thiazol-4-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide
CID 162376466
2,2-dimethyl-1-[(3S)-3-(6-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]propan-1-one
CID 129188723

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylimidazo[1,2-b]pyridazin-7-yl)methyl]cyclohexyl]-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazolidin-2-yl]methanone?
The IUPAC name of [4-[(2-methylimidazo[1,2-b]pyridazin-7-yl)methyl]cyclohexyl]-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazolidin-2-yl]methanone (CID 172581991) is [4-[(2-methylimidazo[1,2-b]pyridazin-7-yl)methyl]cyclohexyl]-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazolidin-2-yl]methanone.
What is the SMILES notation for [4-[(2-methylimidazo[1,2-b]pyridazin-7-yl)methyl]cyclohexyl]-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazolidin-2-yl]methanone?
The canonical SMILES for [4-[(2-methylimidazo[1,2-b]pyridazin-7-yl)methyl]cyclohexyl]-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazolidin-2-yl]methanone is Cc1cn2ncc(CC3CCC(C(=O)N4OCC[C@H]4c4csc(C)n4)CC3)cc2n1.
What is the InChIKey of [4-[(2-methylimidazo[1,2-b]pyridazin-7-yl)methyl]cyclohexyl]-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazolidin-2-yl]methanone?
The InChIKey is OVZQISVENYSFKW-NLPFYKDJSA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-14-12-26-21(24-14)10-17(11-23-26)9-16-3-5-18(6-4-16)22(28)27-20(7-8-29-27)19-13-30-15(2)25-19/h10-13,16,18,20H,3-9H2,1-2H3/t16?,18?,20-/m0/s1.
What are the key properties of [4-[(2-methylimidazo[1,2-b]pyridazin-7-yl)methyl]cyclohexyl]-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazolidin-2-yl]methanone?
[4-[(2-methylimidazo[1,2-b]pyridazin-7-yl)methyl]cyclohexyl]-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazolidin-2-yl]methanone has a molecular weight of 425.56 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylimidazo[1,2-b]pyridazin-7-yl)methyl]cyclohexyl]-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazolidin-2-yl]methanone is sourced from PubChem (CID 172581991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).