5-[3-fluoro-8-[(1S,2S)-2-[5-(trifluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione

C19H14F4N6O3 — CID 171368602

IUPAC5-[3-fluoro-8-[(1S,2S)-2-[5-(trifluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc([C@H]3C[C@@H]3c3ccc(OC(F)(F)F)cn3)c3ncc(F)n3n2)C(=O)N1
InChIInChI=1S/C19H14F4N6O3/c20-15-7-25-16-11(4-14(28-29(15)16)12-6-26-18(31)27-17(12)30)9-3-10(9)13-2-1-8(5-24-13)32-19(21,22)23/h1-2,4-5,7,9-10,12H,3,6H2,(H2,26,27,30,31)/t9-,10-,12?/m0/s1
InChIKeyZRFCVKAJLUOZFT-HVFQMFNGSA-N
MW450.35 g/mol
LogP2.36
Rot. Bonds4

About 5-[3-fluoro-8-[(1S,2S)-2-[5-(trifluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione

5-[3-fluoro-8-[(1S,2S)-2-[5-(trifluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (PubChem CID 171368602) has the molecular formula C19H14F4N6O3 and a molecular weight of 450.35 g/mol. Its IUPAC name is 5-[3-fluoro-8-[(1S,2S)-2-[5-(trifluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-[3-fluoro-8-[(1S,2S)-2-[5-(trifluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
PubChem CID171368602
Molecular FormulaC19H14F4N6O3
Molecular Weight450.35 g/mol
Exact Mass450.11
IUPAC Name5-[3-fluoro-8-[(1S,2S)-2-[5-(trifluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc([C@H]3C[C@@H]3c3ccc(OC(F)(F)F)cn3)c3ncc(F)n3n2)C(=O)N1
InChIInChI=1S/C19H14F4N6O3/c20-15-7-25-16-11(4-14(28-29(15)16)12-6-26-18(31)27-17(12)30)9-3-10(9)13-2-1-8(5-24-13)32-19(21,22)23/h1-2,4-5,7,9-10,12H,3,6H2,(H2,26,27,30,31)/t9-,10-,12?/m0/s1
InChIKeyZRFCVKAJLUOZFT-HVFQMFNGSA-N
XLogP2.36
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[3-fluoro-8-[(1S,2S)-2-[5-(trifluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-8-[(1S,2S)-2-[5-(trifluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-[3-fluoro-8-[(1S,2S)-2-[5-(trifluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (CID 171368602) is 5-[3-fluoro-8-[(1S,2S)-2-[5-(trifluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-[3-fluoro-8-[(1S,2S)-2-[5-(trifluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-[3-fluoro-8-[(1S,2S)-2-[5-(trifluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is O=C1NCC(c2cc([C@H]3C[C@@H]3c3ccc(OC(F)(F)F)cn3)c3ncc(F)n3n2)C(=O)N1.
What is the InChIKey of 5-[3-fluoro-8-[(1S,2S)-2-[5-(trifluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The InChIKey is ZRFCVKAJLUOZFT-HVFQMFNGSA-N. The full InChI is InChI=1S/C19H14F4N6O3/c20-15-7-25-16-11(4-14(28-29(15)16)12-6-26-18(31)27-17(12)30)9-3-10(9)13-2-1-8(5-24-13)32-19(21,22)23/h1-2,4-5,7,9-10,12H,3,6H2,(H2,26,27,30,31)/t9-,10-,12?/m0/s1.
What are the key properties of 5-[3-fluoro-8-[(1S,2S)-2-[5-(trifluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
5-[3-fluoro-8-[(1S,2S)-2-[5-(trifluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione has a molecular weight of 450.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-8-[(1S,2S)-2-[5-(trifluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171368602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).