5-[5-fluoro-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazin-2-yl]-1H-pyrimidine-2,4-dione

C15H10F4N4O2 — CID 163394403

IUPAC5-[5-fluoro-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazin-2-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc([C@H]3C[C@@H]3C(F)(F)F)c3c(F)ccn3n2)c(=O)[nH]1
InChIInChI=1S/C15H10F4N4O2/c16-10-1-2-23-12(10)7(6-3-9(6)15(17,18)19)4-11(22-23)8-5-20-14(25)21-13(8)24/h1-2,4-6,9H,3H2,(H2,20,21,24,25)/t6-,9+/m1/s1
InChIKeyHDXXTYIYCUTBRI-MUWHJKNJSA-N
MW354.26 g/mol
LogP2.18
Rot. Bonds2

About 5-[5-fluoro-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazin-2-yl]-1H-pyrimidine-2,4-dione

5-[5-fluoro-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazin-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 163394403) has the molecular formula C15H10F4N4O2 and a molecular weight of 354.26 g/mol. Its IUPAC name is 5-[5-fluoro-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazin-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-fluoro-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazin-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID163394403
Molecular FormulaC15H10F4N4O2
Molecular Weight354.26 g/mol
Exact Mass354.07
IUPAC Name5-[5-fluoro-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazin-2-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc([C@H]3C[C@@H]3C(F)(F)F)c3c(F)ccn3n2)c(=O)[nH]1
InChIInChI=1S/C15H10F4N4O2/c16-10-1-2-23-12(10)7(6-3-9(6)15(17,18)19)4-11(22-23)8-5-20-14(25)21-13(8)24/h1-2,4-6,9H,3H2,(H2,20,21,24,25)/t6-,9+/m1/s1
InChIKeyHDXXTYIYCUTBRI-MUWHJKNJSA-N
XLogP2.18
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazin-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-fluoro-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazin-2-yl]-1H-pyrimidine-2,4-dione (CID 163394403) is 5-[5-fluoro-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazin-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-fluoro-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazin-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-fluoro-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazin-2-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc([C@H]3C[C@@H]3C(F)(F)F)c3c(F)ccn3n2)c(=O)[nH]1.
What is the InChIKey of 5-[5-fluoro-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazin-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is HDXXTYIYCUTBRI-MUWHJKNJSA-N. The full InChI is InChI=1S/C15H10F4N4O2/c16-10-1-2-23-12(10)7(6-3-9(6)15(17,18)19)4-11(22-23)8-5-20-14(25)21-13(8)24/h1-2,4-6,9H,3H2,(H2,20,21,24,25)/t6-,9+/m1/s1.
What are the key properties of 5-[5-fluoro-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazin-2-yl]-1H-pyrimidine-2,4-dione?
5-[5-fluoro-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazin-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 354.26 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazin-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 163394403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).