1-cyclohexylazetidine;3-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]thieno[2,3-b]pyrazine

C23H26F2N6S — CID 177038305

IUPAC1-cyclohexylazetidine;3-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]thieno[2,3-b]pyrazine
SMILESC1CCC(N2CCC2)CC1.Cc1cn2nc(-c3cnc4ccsc4n3)cc(C(F)F)c2n1
InChIInChI=1S/C14H9F2N5S.C9H17N/c1-7-6-21-13(18-7)8(12(15)16)4-10(20-21)11-5-17-9-2-3-22-14(9)19-11;1-2-5-9(6-3-1)10-7-4-8-10/h2-6,12H,1H3;9H,1-8H2
InChIKeyQINOLIWRCJCVJT-UHFFFAOYSA-N
MW456.57 g/mol
LogP5.67
Rot. Bonds3

About 1-cyclohexylazetidine;3-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]thieno[2,3-b]pyrazine

1-cyclohexylazetidine;3-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]thieno[2,3-b]pyrazine (PubChem CID 177038305) has the molecular formula C23H26F2N6S and a molecular weight of 456.57 g/mol. Its IUPAC name is 1-cyclohexylazetidine;3-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]thieno[2,3-b]pyrazine.

Molecular Properties

Compound Name1-cyclohexylazetidine;3-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]thieno[2,3-b]pyrazine
PubChem CID177038305
Molecular FormulaC23H26F2N6S
Molecular Weight456.57 g/mol
Exact Mass456.19
IUPAC Name1-cyclohexylazetidine;3-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]thieno[2,3-b]pyrazine
SMILESC1CCC(N2CCC2)CC1.Cc1cn2nc(-c3cnc4ccsc4n3)cc(C(F)F)c2n1
InChIInChI=1S/C14H9F2N5S.C9H17N/c1-7-6-21-13(18-7)8(12(15)16)4-10(20-21)11-5-17-9-2-3-22-14(9)19-11;1-2-5-9(6-3-1)10-7-4-8-10/h2-6,12H,1H3;9H,1-8H2
InChIKeyQINOLIWRCJCVJT-UHFFFAOYSA-N
XLogP5.67
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.57
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylazetidine;3-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]thieno[2,3-b]pyrazine?
The IUPAC name of 1-cyclohexylazetidine;3-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]thieno[2,3-b]pyrazine (CID 177038305) is 1-cyclohexylazetidine;3-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]thieno[2,3-b]pyrazine.
What is the SMILES notation for 1-cyclohexylazetidine;3-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]thieno[2,3-b]pyrazine?
The canonical SMILES for 1-cyclohexylazetidine;3-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]thieno[2,3-b]pyrazine is C1CCC(N2CCC2)CC1.Cc1cn2nc(-c3cnc4ccsc4n3)cc(C(F)F)c2n1.
What is the InChIKey of 1-cyclohexylazetidine;3-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]thieno[2,3-b]pyrazine?
The InChIKey is QINOLIWRCJCVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N5S.C9H17N/c1-7-6-21-13(18-7)8(12(15)16)4-10(20-21)11-5-17-9-2-3-22-14(9)19-11;1-2-5-9(6-3-1)10-7-4-8-10/h2-6,12H,1H3;9H,1-8H2.
What are the key properties of 1-cyclohexylazetidine;3-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]thieno[2,3-b]pyrazine?
1-cyclohexylazetidine;3-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]thieno[2,3-b]pyrazine has a molecular weight of 456.57 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylazetidine;3-[8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazin-6-yl]thieno[2,3-b]pyrazine is sourced from PubChem (CID 177038305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).