5-[2,8-bis[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione

C18H15F6N5O2 — CID 171362442

IUPAC5-[2,8-bis[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc(C3(C(F)(F)F)CC3)c3nc(C4(C(F)(F)F)CC4)cn3n2)C(=O)N1
InChIInChI=1S/C18H15F6N5O2/c19-17(20,21)15(1-2-15)9-5-10(8-6-25-14(31)27-13(8)30)28-29-7-11(26-12(9)29)16(3-4-16)18(22,23)24/h5,7-8H,1-4,6H2,(H2,25,27,30,31)
InChIKeyGLIUOOKWKXVPRH-UHFFFAOYSA-N
MW447.34 g/mol
LogP2.84
Rot. Bonds3

About 5-[2,8-bis[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione

5-[2,8-bis[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (PubChem CID 171362442) has the molecular formula C18H15F6N5O2 and a molecular weight of 447.34 g/mol. Its IUPAC name is 5-[2,8-bis[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-[2,8-bis[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
PubChem CID171362442
Molecular FormulaC18H15F6N5O2
Molecular Weight447.34 g/mol
Exact Mass447.11
IUPAC Name5-[2,8-bis[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc(C3(C(F)(F)F)CC3)c3nc(C4(C(F)(F)F)CC4)cn3n2)C(=O)N1
InChIInChI=1S/C18H15F6N5O2/c19-17(20,21)15(1-2-15)9-5-10(8-6-25-14(31)27-13(8)30)28-29-7-11(26-12(9)29)16(3-4-16)18(22,23)24/h5,7-8H,1-4,6H2,(H2,25,27,30,31)
InChIKeyGLIUOOKWKXVPRH-UHFFFAOYSA-N
XLogP2.84
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Biarylphenylalanine (S)-Fluoropyrrolidide Amide 26
CID 91895718
N-(6-(6-amino-5-(trifluoromethyl)pyridin-3-yl)imidazo[1,2-b]pyridazin-2-yl)acetamide
CID 59251834
CID 167362957
CID 167362957
(S)-4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl)-N-(piperidin-2-ylmethyl)benzamide
CID 46933383
(4S,5S)-5-(aminomethyl)-4-(2,5-difluorophenyl)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)piperidin-2-one
CID 90654731
(4S,5S)-5-(aminomethyl)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 90654736
N-(7-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)-2-(3,5-difluorophenyl)acetamide
CID 155524628
N-cyclopropyl-4-imidazo[1,2-b]pyridazin-3-ylbenzamide
CID 49791423
N-[3-(7-{1-[1-(3-Cyclopropylpropanoyl)piperidin-4-yl]-1H-pyrazol-4-yl}imidazo[1,2-b]pyridazin-3-yl)phenyl]-N'-(2,2,2-trifluoroethyl)urea
CID 57384126
US10213427, Example 98
CID 57386928
N,N-Dimethyl-2-(4-{3-[3-({[(2,2,2-trifluoroethyl)amino]carbonyl}amino)phenyl]imidazo[1,2-b]pyridazin-7-yl}phenyl)propanamide
CID 57386929
N-[3-(7-{1-[1-(Cyclopropylacetyl)piperidin-4-yl]-1H-pyrazol-4-yl}imidazo[1,2-b]pyridazin-3-yl)phenyl]-N'-(2,2,2-trifluoroethyl)urea
CID 57388124

Frequently Asked Questions

What is the IUPAC name of 5-[2,8-bis[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-[2,8-bis[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (CID 171362442) is 5-[2,8-bis[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-[2,8-bis[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-[2,8-bis[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is O=C1NCC(c2cc(C3(C(F)(F)F)CC3)c3nc(C4(C(F)(F)F)CC4)cn3n2)C(=O)N1.
What is the InChIKey of 5-[2,8-bis[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The InChIKey is GLIUOOKWKXVPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F6N5O2/c19-17(20,21)15(1-2-15)9-5-10(8-6-25-14(31)27-13(8)30)28-29-7-11(26-12(9)29)16(3-4-16)18(22,23)24/h5,7-8H,1-4,6H2,(H2,25,27,30,31).
What are the key properties of 5-[2,8-bis[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
5-[2,8-bis[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione has a molecular weight of 447.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,8-bis[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171362442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).