5-[3-fluoro-8-[(1S,2S)-2-[4-(trifluoromethyl)quinolin-7-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione

C23H14F4N6O2 — CID 167340219

IUPAC5-[3-fluoro-8-[(1S,2S)-2-[4-(trifluoromethyl)quinolin-7-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc([C@H]3C[C@@H]3c3ccc4c(C(F)(F)F)ccnc4c3)c3ncc(F)n3n2)c(=O)[nH]1
InChIInChI=1S/C23H14F4N6O2/c24-19-9-29-20-14(7-18(32-33(19)20)15-8-30-22(35)31-21(15)34)13-6-12(13)10-1-2-11-16(23(25,26)27)3-4-28-17(11)5-10/h1-5,7-9,12-13H,6H2,(H2,30,31,34,35)/t12-,13+/m1/s1
InChIKeyGUKKKIMQVVDIEH-OLZOCXBDSA-N
MW482.40 g/mol
LogP3.75
Rot. Bonds3

About 5-[3-fluoro-8-[(1S,2S)-2-[4-(trifluoromethyl)quinolin-7-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione

5-[3-fluoro-8-[(1S,2S)-2-[4-(trifluoromethyl)quinolin-7-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (PubChem CID 167340219) has the molecular formula C23H14F4N6O2 and a molecular weight of 482.40 g/mol. Its IUPAC name is 5-[3-fluoro-8-[(1S,2S)-2-[4-(trifluoromethyl)quinolin-7-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[3-fluoro-8-[(1S,2S)-2-[4-(trifluoromethyl)quinolin-7-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
PubChem CID167340219
Molecular FormulaC23H14F4N6O2
Molecular Weight482.40 g/mol
Exact Mass482.11
IUPAC Name5-[3-fluoro-8-[(1S,2S)-2-[4-(trifluoromethyl)quinolin-7-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc([C@H]3C[C@@H]3c3ccc4c(C(F)(F)F)ccnc4c3)c3ncc(F)n3n2)c(=O)[nH]1
InChIInChI=1S/C23H14F4N6O2/c24-19-9-29-20-14(7-18(32-33(19)20)15-8-30-22(35)31-21(15)34)13-6-12(13)10-1-2-11-16(23(25,26)27)3-4-28-17(11)5-10/h1-5,7-9,12-13H,6H2,(H2,30,31,34,35)/t12-,13+/m1/s1
InChIKeyGUKKKIMQVVDIEH-OLZOCXBDSA-N
XLogP3.75
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.40
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[3-fluoro-8-[(1S,2S)-2-[4-(trifluoromethyl)quinolin-7-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-8-[(1S,2S)-2-[4-(trifluoromethyl)quinolin-7-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[3-fluoro-8-[(1S,2S)-2-[4-(trifluoromethyl)quinolin-7-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (CID 167340219) is 5-[3-fluoro-8-[(1S,2S)-2-[4-(trifluoromethyl)quinolin-7-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[3-fluoro-8-[(1S,2S)-2-[4-(trifluoromethyl)quinolin-7-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[3-fluoro-8-[(1S,2S)-2-[4-(trifluoromethyl)quinolin-7-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc([C@H]3C[C@@H]3c3ccc4c(C(F)(F)F)ccnc4c3)c3ncc(F)n3n2)c(=O)[nH]1.
What is the InChIKey of 5-[3-fluoro-8-[(1S,2S)-2-[4-(trifluoromethyl)quinolin-7-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is GUKKKIMQVVDIEH-OLZOCXBDSA-N. The full InChI is InChI=1S/C23H14F4N6O2/c24-19-9-29-20-14(7-18(32-33(19)20)15-8-30-22(35)31-21(15)34)13-6-12(13)10-1-2-11-16(23(25,26)27)3-4-28-17(11)5-10/h1-5,7-9,12-13H,6H2,(H2,30,31,34,35)/t12-,13+/m1/s1.
What are the key properties of 5-[3-fluoro-8-[(1S,2S)-2-[4-(trifluoromethyl)quinolin-7-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
5-[3-fluoro-8-[(1S,2S)-2-[4-(trifluoromethyl)quinolin-7-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 482.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-8-[(1S,2S)-2-[4-(trifluoromethyl)quinolin-7-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 167340219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).