4-[(1R,2R)-2-[6-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-2-fluorobenzonitrile

C20H12F2N6O2 — CID 174040149

IUPAC4-[(1R,2R)-2-[6-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-2-fluorobenzonitrile
SMILESN#Cc1ccc([C@@H]2C[C@H]2c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3c(F)cnc23)cc1F
InChIInChI=1S/C20H12F2N6O2/c21-15-3-9(1-2-10(15)6-23)11-4-12(11)13-5-16(14-7-25-20(30)26-19(14)29)27-28-17(22)8-24-18(13)28/h1-3,5,7-8,11-12H,4H2,(H2,25,26,29,30)/t11-,12+/m0/s1
InChIKeyGVVZHZYWBFYMAT-NWDGAFQWSA-N
MW406.35 g/mol
LogP2.19
Rot. Bonds3

About 4-[(1R,2R)-2-[6-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-2-fluorobenzonitrile

4-[(1R,2R)-2-[6-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-2-fluorobenzonitrile (PubChem CID 174040149) has the molecular formula C20H12F2N6O2 and a molecular weight of 406.35 g/mol. Its IUPAC name is 4-[(1R,2R)-2-[6-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[(1R,2R)-2-[6-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-2-fluorobenzonitrile
PubChem CID174040149
Molecular FormulaC20H12F2N6O2
Molecular Weight406.35 g/mol
Exact Mass406.10
IUPAC Name4-[(1R,2R)-2-[6-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-2-fluorobenzonitrile
SMILESN#Cc1ccc([C@@H]2C[C@H]2c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3c(F)cnc23)cc1F
InChIInChI=1S/C20H12F2N6O2/c21-15-3-9(1-2-10(15)6-23)11-4-12(11)13-5-16(14-7-25-20(30)26-19(14)29)27-28-17(22)8-24-18(13)28/h1-3,5,7-8,11-12H,4H2,(H2,25,26,29,30)/t11-,12+/m0/s1
InChIKeyGVVZHZYWBFYMAT-NWDGAFQWSA-N
XLogP2.19
TPSA119.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(1R,2R)-2-[6-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-2-fluorobenzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-2-[6-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-2-fluorobenzonitrile?
The IUPAC name of 4-[(1R,2R)-2-[6-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-2-fluorobenzonitrile (CID 174040149) is 4-[(1R,2R)-2-[6-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[(1R,2R)-2-[6-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-2-fluorobenzonitrile?
The canonical SMILES for 4-[(1R,2R)-2-[6-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-2-fluorobenzonitrile is N#Cc1ccc([C@@H]2C[C@H]2c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3c(F)cnc23)cc1F.
What is the InChIKey of 4-[(1R,2R)-2-[6-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-2-fluorobenzonitrile?
The InChIKey is GVVZHZYWBFYMAT-NWDGAFQWSA-N. The full InChI is InChI=1S/C20H12F2N6O2/c21-15-3-9(1-2-10(15)6-23)11-4-12(11)13-5-16(14-7-25-20(30)26-19(14)29)27-28-17(22)8-24-18(13)28/h1-3,5,7-8,11-12H,4H2,(H2,25,26,29,30)/t11-,12+/m0/s1.
What are the key properties of 4-[(1R,2R)-2-[6-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-2-fluorobenzonitrile?
4-[(1R,2R)-2-[6-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-2-fluorobenzonitrile has a molecular weight of 406.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R)-2-[6-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluoroimidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-2-fluorobenzonitrile is sourced from PubChem (CID 174040149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).