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

C19H15F3N6O3 — CID 171368386

IUPAC5-[8-[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc([C@H]3C[C@@H]3c3ccc(OC(F)F)cn3)c3ncc(F)n3n2)C(=O)N1
InChIInChI=1S/C19H15F3N6O3/c20-15-7-24-16-11(4-14(27-28(15)16)12-6-25-19(30)26-17(12)29)9-3-10(9)13-2-1-8(5-23-13)31-18(21)22/h1-2,4-5,7,9-10,12,18H,3,6H2,(H2,25,26,29,30)/t9-,10-,12?/m0/s1
InChIKeyQODHGEVOYWADFH-HVFQMFNGSA-N
MW432.36 g/mol
LogP2.06
Rot. Bonds5

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

5-[8-[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (PubChem CID 171368386) has the molecular formula C19H15F3N6O3 and a molecular weight of 432.36 g/mol. Its IUPAC name is 5-[8-[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-[8-[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
PubChem CID171368386
Molecular FormulaC19H15F3N6O3
Molecular Weight432.36 g/mol
Exact Mass432.12
IUPAC Name5-[8-[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc([C@H]3C[C@@H]3c3ccc(OC(F)F)cn3)c3ncc(F)n3n2)C(=O)N1
InChIInChI=1S/C19H15F3N6O3/c20-15-7-24-16-11(4-14(27-28(15)16)12-6-25-19(30)26-17(12)29)9-3-10(9)13-2-1-8(5-23-13)31-18(21)22/h1-2,4-5,7,9-10,12,18H,3,6H2,(H2,25,26,29,30)/t9-,10-,12?/m0/s1
InChIKeyQODHGEVOYWADFH-HVFQMFNGSA-N
XLogP2.06
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[8-[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-[8-[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (CID 171368386) is 5-[8-[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-[8-[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-[8-[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]-3-fluoroimidazo[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)cn3)c3ncc(F)n3n2)C(=O)N1.
What is the InChIKey of 5-[8-[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The InChIKey is QODHGEVOYWADFH-HVFQMFNGSA-N. The full InChI is InChI=1S/C19H15F3N6O3/c20-15-7-24-16-11(4-14(27-28(15)16)12-6-25-19(30)26-17(12)29)9-3-10(9)13-2-1-8(5-23-13)31-18(21)22/h1-2,4-5,7,9-10,12,18H,3,6H2,(H2,25,26,29,30)/t9-,10-,12?/m0/s1.
What are the key properties of 5-[8-[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
5-[8-[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione has a molecular weight of 432.36 g/mol, XLogP of 2.06, 5 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-(difluoromethoxy)-2-pyridinyl]cyclopropyl]-3-fluoroimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171368386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).