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

C19H15F2N5O2 — CID 171368321

IUPAC5-[8-[(1R,2R)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc([C@@H]3C[C@H]3c3cc(F)cc(F)c3)c3nccn3n2)C(=O)N1
InChIInChI=1S/C19H15F2N5O2/c20-10-3-9(4-11(21)5-10)12-6-13(12)14-7-16(25-26-2-1-22-17(14)26)15-8-23-19(28)24-18(15)27/h1-5,7,12-13,15H,6,8H2,(H2,23,24,27,28)/t12-,13+,15?/m0/s1
InChIKeySPQJXDZLLSJZGF-IKCIUXDWSA-N
MW383.36 g/mol
LogP2.20
Rot. Bonds3

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

5-[8-[(1R,2R)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (PubChem CID 171368321) has the molecular formula C19H15F2N5O2 and a molecular weight of 383.36 g/mol. Its IUPAC name is 5-[8-[(1R,2R)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-[8-[(1R,2R)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
PubChem CID171368321
Molecular FormulaC19H15F2N5O2
Molecular Weight383.36 g/mol
Exact Mass383.12
IUPAC Name5-[8-[(1R,2R)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc([C@@H]3C[C@H]3c3cc(F)cc(F)c3)c3nccn3n2)C(=O)N1
InChIInChI=1S/C19H15F2N5O2/c20-10-3-9(4-11(21)5-10)12-6-13(12)14-7-16(25-26-2-1-22-17(14)26)15-8-23-19(28)24-18(15)27/h1-5,7,12-13,15H,6,8H2,(H2,23,24,27,28)/t12-,13+,15?/m0/s1
InChIKeySPQJXDZLLSJZGF-IKCIUXDWSA-N
XLogP2.20
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[8-[(1R,2R)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-[8-[(1R,2R)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (CID 171368321) is 5-[8-[(1R,2R)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-[8-[(1R,2R)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-[8-[(1R,2R)-2-(3,5-difluorophenyl)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)cc(F)c3)c3nccn3n2)C(=O)N1.
What is the InChIKey of 5-[8-[(1R,2R)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The InChIKey is SPQJXDZLLSJZGF-IKCIUXDWSA-N. The full InChI is InChI=1S/C19H15F2N5O2/c20-10-3-9(4-11(21)5-10)12-6-13(12)14-7-16(25-26-2-1-22-17(14)26)15-8-23-19(28)24-18(15)27/h1-5,7,12-13,15H,6,8H2,(H2,23,24,27,28)/t12-,13+,15?/m0/s1.
What are the key properties of 5-[8-[(1R,2R)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
5-[8-[(1R,2R)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione has a molecular weight of 383.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[(1R,2R)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171368321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).