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

C19H13F2N5O2 — CID 157032884

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[8-[(1S,2S)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc([C@H]3C[C@@H]3c3cc(F)cc(F)c3)c3nccn3n2)c(=O)[nH]1
InChIInChI=1S/C19H13F2N5O2/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/h1-5,7-8,12-13H,6H2,(H2,23,24,27,28)/t12-,13+/m1/s1
InChIKeyFHPUDLLRJTUNAR-OLZOCXBDSA-N
MW381.34 g/mol
LogP2.32
Rot. Bonds3

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

5-[8-[(1S,2S)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (PubChem CID 157032884) has the molecular formula C19H13F2N5O2 and a molecular weight of 381.34 g/mol. Its IUPAC name is 5-[8-[(1S,2S)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[8-[(1S,2S)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
PubChem CID157032884
Molecular FormulaC19H13F2N5O2
Molecular Weight381.34 g/mol
Exact Mass381.10
IUPAC Name5-[8-[(1S,2S)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc([C@H]3C[C@@H]3c3cc(F)cc(F)c3)c3nccn3n2)c(=O)[nH]1
InChIInChI=1S/C19H13F2N5O2/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/h1-5,7-8,12-13H,6H2,(H2,23,24,27,28)/t12-,13+/m1/s1
InChIKeyFHPUDLLRJTUNAR-OLZOCXBDSA-N
XLogP2.32
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[8-[(1S,2S)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[8-[(1S,2S)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (CID 157032884) is 5-[8-[(1S,2S)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[8-[(1S,2S)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[8-[(1S,2S)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc([C@H]3C[C@@H]3c3cc(F)cc(F)c3)c3nccn3n2)c(=O)[nH]1.
What is the InChIKey of 5-[8-[(1S,2S)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is FHPUDLLRJTUNAR-OLZOCXBDSA-N. The full InChI is InChI=1S/C19H13F2N5O2/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/h1-5,7-8,12-13H,6H2,(H2,23,24,27,28)/t12-,13+/m1/s1.
What are the key properties of 5-[8-[(1S,2S)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
5-[8-[(1S,2S)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 381.34 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[(1S,2S)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 157032884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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