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

C17H17F2N5O2 — CID 171368361

IUPAC5-[8-[(1S,2R)-2-(3,3-difluorocyclobutyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc([C@H]3C[C@@H]3C3CC(F)(F)C3)c3nccn3n2)C(=O)N1
InChIInChI=1S/C17H17F2N5O2/c18-17(19)5-8(6-17)9-3-10(9)11-4-13(23-24-2-1-20-14(11)24)12-7-21-16(26)22-15(12)25/h1-2,4,8-10,12H,3,5-7H2,(H2,21,22,25,26)/t9-,10+,12?/m1/s1
InChIKeyVRCOATNOXAIUEE-WFCWDVHWSA-N
MW361.35 g/mol
LogP1.80
Rot. Bonds3

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

5-[8-[(1S,2R)-2-(3,3-difluorocyclobutyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (PubChem CID 171368361) has the molecular formula C17H17F2N5O2 and a molecular weight of 361.35 g/mol. Its IUPAC name is 5-[8-[(1S,2R)-2-(3,3-difluorocyclobutyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-[8-[(1S,2R)-2-(3,3-difluorocyclobutyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
PubChem CID171368361
Molecular FormulaC17H17F2N5O2
Molecular Weight361.35 g/mol
Exact Mass361.14
IUPAC Name5-[8-[(1S,2R)-2-(3,3-difluorocyclobutyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc([C@H]3C[C@@H]3C3CC(F)(F)C3)c3nccn3n2)C(=O)N1
InChIInChI=1S/C17H17F2N5O2/c18-17(19)5-8(6-17)9-3-10(9)11-4-13(23-24-2-1-20-14(11)24)12-7-21-16(26)22-15(12)25/h1-2,4,8-10,12H,3,5-7H2,(H2,21,22,25,26)/t9-,10+,12?/m1/s1
InChIKeyVRCOATNOXAIUEE-WFCWDVHWSA-N
XLogP1.80
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[8-[(1S,2R)-2-(3,3-difluorocyclobutyl)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,2R)-2-(3,3-difluorocyclobutyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-[8-[(1S,2R)-2-(3,3-difluorocyclobutyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (CID 171368361) is 5-[8-[(1S,2R)-2-(3,3-difluorocyclobutyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-[8-[(1S,2R)-2-(3,3-difluorocyclobutyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-[8-[(1S,2R)-2-(3,3-difluorocyclobutyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is O=C1NCC(c2cc([C@H]3C[C@@H]3C3CC(F)(F)C3)c3nccn3n2)C(=O)N1.
What is the InChIKey of 5-[8-[(1S,2R)-2-(3,3-difluorocyclobutyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The InChIKey is VRCOATNOXAIUEE-WFCWDVHWSA-N. The full InChI is InChI=1S/C17H17F2N5O2/c18-17(19)5-8(6-17)9-3-10(9)11-4-13(23-24-2-1-20-14(11)24)12-7-21-16(26)22-15(12)25/h1-2,4,8-10,12H,3,5-7H2,(H2,21,22,25,26)/t9-,10+,12?/m1/s1.
What are the key properties of 5-[8-[(1S,2R)-2-(3,3-difluorocyclobutyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
5-[8-[(1S,2R)-2-(3,3-difluorocyclobutyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione has a molecular weight of 361.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[(1S,2R)-2-(3,3-difluorocyclobutyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171368361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).