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

C22H19F2N5O2 — CID 171368400

IUPAC5-[2-cyclopropyl-8-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc([C@H]3C[C@@H]3c3ccc(F)cc3F)c3nc(C4CC4)cn3n2)C(=O)N1
InChIInChI=1S/C22H19F2N5O2/c23-11-3-4-12(17(24)5-11)13-6-14(13)15-7-18(16-8-25-22(31)27-21(16)30)28-29-9-19(10-1-2-10)26-20(15)29/h3-5,7,9-10,13-14,16H,1-2,6,8H2,(H2,25,27,30,31)/t13-,14+,16?/m1/s1
InChIKeyYLFKXDUZWYRZBD-CNYCQXTOSA-N
MW423.42 g/mol
LogP3.08
Rot. Bonds4

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

5-[2-cyclopropyl-8-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (PubChem CID 171368400) has the molecular formula C22H19F2N5O2 and a molecular weight of 423.42 g/mol. Its IUPAC name is 5-[2-cyclopropyl-8-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-[2-cyclopropyl-8-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
PubChem CID171368400
Molecular FormulaC22H19F2N5O2
Molecular Weight423.42 g/mol
Exact Mass423.15
IUPAC Name5-[2-cyclopropyl-8-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc([C@H]3C[C@@H]3c3ccc(F)cc3F)c3nc(C4CC4)cn3n2)C(=O)N1
InChIInChI=1S/C22H19F2N5O2/c23-11-3-4-12(17(24)5-11)13-6-14(13)15-7-18(16-8-25-22(31)27-21(16)30)28-29-9-19(10-1-2-10)26-20(15)29/h3-5,7,9-10,13-14,16H,1-2,6,8H2,(H2,25,27,30,31)/t13-,14+,16?/m1/s1
InChIKeyYLFKXDUZWYRZBD-CNYCQXTOSA-N
XLogP3.08
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2-cyclopropyl-8-[(1S,2S)-2-(2,4-difluorophenyl)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-[2-cyclopropyl-8-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-[2-cyclopropyl-8-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (CID 171368400) is 5-[2-cyclopropyl-8-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-[2-cyclopropyl-8-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-[2-cyclopropyl-8-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is O=C1NCC(c2cc([C@H]3C[C@@H]3c3ccc(F)cc3F)c3nc(C4CC4)cn3n2)C(=O)N1.
What is the InChIKey of 5-[2-cyclopropyl-8-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The InChIKey is YLFKXDUZWYRZBD-CNYCQXTOSA-N. The full InChI is InChI=1S/C22H19F2N5O2/c23-11-3-4-12(17(24)5-11)13-6-14(13)15-7-18(16-8-25-22(31)27-21(16)30)28-29-9-19(10-1-2-10)26-20(15)29/h3-5,7,9-10,13-14,16H,1-2,6,8H2,(H2,25,27,30,31)/t13-,14+,16?/m1/s1.
What are the key properties of 5-[2-cyclopropyl-8-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
5-[2-cyclopropyl-8-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione has a molecular weight of 423.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopropyl-8-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171368400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).