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

C14H9ClF3N5O2 — CID 163216814

IUPAC5-[3-chloro-8-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc([C@H]3C[C@@H]3C(F)(F)F)c3ncc(Cl)n3n2)c(=O)[nH]1
InChIInChI=1S/C14H9ClF3N5O2/c15-10-4-19-11-6(5-1-8(5)14(16,17)18)2-9(22-23(10)11)7-3-20-13(25)21-12(7)24/h2-5,8H,1H2,(H2,20,21,24,25)/t5-,8+/m1/s1
InChIKeyJGPXYCXVSGYDIG-XRGYYRRGSA-N
MW371.71 g/mol
LogP2.09
Rot. Bonds2

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

5-[3-chloro-8-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (PubChem CID 163216814) has the molecular formula C14H9ClF3N5O2 and a molecular weight of 371.71 g/mol. Its IUPAC name is 5-[3-chloro-8-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[3-chloro-8-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
PubChem CID163216814
Molecular FormulaC14H9ClF3N5O2
Molecular Weight371.71 g/mol
Exact Mass371.04
IUPAC Name5-[3-chloro-8-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc([C@H]3C[C@@H]3C(F)(F)F)c3ncc(Cl)n3n2)c(=O)[nH]1
InChIInChI=1S/C14H9ClF3N5O2/c15-10-4-19-11-6(5-1-8(5)14(16,17)18)2-9(22-23(10)11)7-3-20-13(25)21-12(7)24/h2-5,8H,1H2,(H2,20,21,24,25)/t5-,8+/m1/s1
InChIKeyJGPXYCXVSGYDIG-XRGYYRRGSA-N
XLogP2.09
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.71
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-8-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[3-chloro-8-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (CID 163216814) is 5-[3-chloro-8-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[3-chloro-8-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[3-chloro-8-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc([C@H]3C[C@@H]3C(F)(F)F)c3ncc(Cl)n3n2)c(=O)[nH]1.
What is the InChIKey of 5-[3-chloro-8-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is JGPXYCXVSGYDIG-XRGYYRRGSA-N. The full InChI is InChI=1S/C14H9ClF3N5O2/c15-10-4-19-11-6(5-1-8(5)14(16,17)18)2-9(22-23(10)11)7-3-20-13(25)21-12(7)24/h2-5,8H,1H2,(H2,20,21,24,25)/t5-,8+/m1/s1.
What are the key properties of 5-[3-chloro-8-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
5-[3-chloro-8-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 371.71 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-8-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 163216814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).