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

C20H15F2N5O2 — CID 157032708

IUPAC5-[8-[(1S,2S)-2-[4-(difluoromethyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc([C@H]3C[C@@H]3c3ccc(C(F)F)cc3)c3nccn3n2)c(=O)[nH]1
InChIInChI=1S/C20H15F2N5O2/c21-17(22)11-3-1-10(2-4-11)12-7-13(12)14-8-16(26-27-6-5-23-18(14)27)15-9-24-20(29)25-19(15)28/h1-6,8-9,12-13,17H,7H2,(H2,24,25,28,29)/t12-,13+/m1/s1
InChIKeyPKADJKBRKTXTRP-OLZOCXBDSA-N
MW395.37 g/mol
LogP2.98
Rot. Bonds4

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

5-[8-[(1S,2S)-2-[4-(difluoromethyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (PubChem CID 157032708) has the molecular formula C20H15F2N5O2 and a molecular weight of 395.37 g/mol. Its IUPAC name is 5-[8-[(1S,2S)-2-[4-(difluoromethyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[8-[(1S,2S)-2-[4-(difluoromethyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
PubChem CID157032708
Molecular FormulaC20H15F2N5O2
Molecular Weight395.37 g/mol
Exact Mass395.12
IUPAC Name5-[8-[(1S,2S)-2-[4-(difluoromethyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc([C@H]3C[C@@H]3c3ccc(C(F)F)cc3)c3nccn3n2)c(=O)[nH]1
InChIInChI=1S/C20H15F2N5O2/c21-17(22)11-3-1-10(2-4-11)12-7-13(12)14-8-16(26-27-6-5-23-18(14)27)15-9-24-20(29)25-19(15)28/h1-6,8-9,12-13,17H,7H2,(H2,24,25,28,29)/t12-,13+/m1/s1
InChIKeyPKADJKBRKTXTRP-OLZOCXBDSA-N
XLogP2.98
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[8-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157034809
5-[8-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157034228
5-[8-[(1S,2S)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157032884
5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;difluoromethylbenzene
CID 157034335
5-[8-[(1R,2R)-2-(4-chloro-3-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157034901
5-[8-[(1S,2S)-2-pyridin-2-ylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033222
5-[8-[(2R)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157034079
5-[8-[(1R,2R)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033798
5-[8-[(1S,2S)-2-(2,3,6-trifluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157034380
5-[8-[(1S,2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157032352
5-[8-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033822
5-[8-[(1R)-2-[1-(2,2-difluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157032457

Frequently Asked Questions

What is the IUPAC name of 5-[8-[(1S,2S)-2-[4-(difluoromethyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[8-[(1S,2S)-2-[4-(difluoromethyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (CID 157032708) is 5-[8-[(1S,2S)-2-[4-(difluoromethyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[8-[(1S,2S)-2-[4-(difluoromethyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[8-[(1S,2S)-2-[4-(difluoromethyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc([C@H]3C[C@@H]3c3ccc(C(F)F)cc3)c3nccn3n2)c(=O)[nH]1.
What is the InChIKey of 5-[8-[(1S,2S)-2-[4-(difluoromethyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is PKADJKBRKTXTRP-OLZOCXBDSA-N. The full InChI is InChI=1S/C20H15F2N5O2/c21-17(22)11-3-1-10(2-4-11)12-7-13(12)14-8-16(26-27-6-5-23-18(14)27)15-9-24-20(29)25-19(15)28/h1-6,8-9,12-13,17H,7H2,(H2,24,25,28,29)/t12-,13+/m1/s1.
What are the key properties of 5-[8-[(1S,2S)-2-[4-(difluoromethyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
5-[8-[(1S,2S)-2-[4-(difluoromethyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 395.37 g/mol, XLogP of 2.98, 4 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-[4-(difluoromethyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 157032708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).