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

C19H15F3N6O3 — CID 171368601

IUPAC5-[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)c3nccn3n2)C(=O)N1
InChIInChI=1S/C19H15F3N6O3/c20-19(21,22)31-9-1-2-14(24-7-9)11-5-10(11)12-6-15(27-28-4-3-23-16(12)28)13-8-25-18(30)26-17(13)29/h1-4,6-7,10-11,13H,5,8H2,(H2,25,26,29,30)/t10-,11-,13?/m0/s1
InChIKeyRXEYHWJDVXNMFC-WAQLSPKVSA-N
MW432.36 g/mol
LogP2.22
Rot. Bonds4

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

5-[8-[(1S,2S)-2-[5-(trifluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (PubChem CID 171368601) has the molecular formula C19H15F3N6O3 and a molecular weight of 432.36 g/mol. Its IUPAC name is 5-[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-[8-[(1S,2S)-2-[5-(trifluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
PubChem CID171368601
Molecular FormulaC19H15F3N6O3
Molecular Weight432.36 g/mol
Exact Mass432.12
IUPAC Name5-[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)c3nccn3n2)C(=O)N1
InChIInChI=1S/C19H15F3N6O3/c20-19(21,22)31-9-1-2-14(24-7-9)11-5-10(11)12-6-15(27-28-4-3-23-16(12)28)13-8-25-18(30)26-17(13)29/h1-4,6-7,10-11,13H,5,8H2,(H2,25,26,29,30)/t10-,11-,13?/m0/s1
InChIKeyRXEYHWJDVXNMFC-WAQLSPKVSA-N
XLogP2.22
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[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-[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-[8-[(1S,2S)-2-[5-(trifluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (CID 171368601) is 5-[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-[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-[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)c3nccn3n2)C(=O)N1.
What is the InChIKey of 5-[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 RXEYHWJDVXNMFC-WAQLSPKVSA-N. The full InChI is InChI=1S/C19H15F3N6O3/c20-19(21,22)31-9-1-2-14(24-7-9)11-5-10(11)12-6-15(27-28-4-3-23-16(12)28)13-8-25-18(30)26-17(13)29/h1-4,6-7,10-11,13H,5,8H2,(H2,25,26,29,30)/t10-,11-,13?/m0/s1.
What are the key properties of 5-[8-[(1S,2S)-2-[5-(trifluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
5-[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 432.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[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 171368601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).