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

C19H14FN5O2 — CID 157033518

IUPAC5-[8-[(2S)-2-fluoro-2-phenylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(C3C[C@@]3(F)c3ccccc3)c3nccn3n2)c(=O)[nH]1
InChIInChI=1S/C19H14FN5O2/c20-19(11-4-2-1-3-5-11)9-14(19)12-8-15(24-25-7-6-21-16(12)25)13-10-22-18(27)23-17(13)26/h1-8,10,14H,9H2,(H2,22,23,26,27)/t14?,19-/m1/s1
InChIKeyDFIYWTLHUPAOCC-JANGERMGSA-N
MW363.35 g/mol
LogP2.13
Rot. Bonds3

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

5-[8-[(2S)-2-fluoro-2-phenylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (PubChem CID 157033518) has the molecular formula C19H14FN5O2 and a molecular weight of 363.35 g/mol. Its IUPAC name is 5-[8-[(2S)-2-fluoro-2-phenylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[8-[(2S)-2-fluoro-2-phenylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
PubChem CID157033518
Molecular FormulaC19H14FN5O2
Molecular Weight363.35 g/mol
Exact Mass363.11
IUPAC Name5-[8-[(2S)-2-fluoro-2-phenylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(C3C[C@@]3(F)c3ccccc3)c3nccn3n2)c(=O)[nH]1
InChIInChI=1S/C19H14FN5O2/c20-19(11-4-2-1-3-5-11)9-14(19)12-8-15(24-25-7-6-21-16(12)25)13-10-22-18(27)23-17(13)26/h1-8,10,14H,9H2,(H2,22,23,26,27)/t14?,19-/m1/s1
InChIKeyDFIYWTLHUPAOCC-JANGERMGSA-N
XLogP2.13
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[8-[(2S)-2-fluoro-2-phenylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[8-[(2S)-2-fluoro-2-phenylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (CID 157033518) is 5-[8-[(2S)-2-fluoro-2-phenylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[8-[(2S)-2-fluoro-2-phenylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[8-[(2S)-2-fluoro-2-phenylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc(C3C[C@@]3(F)c3ccccc3)c3nccn3n2)c(=O)[nH]1.
What is the InChIKey of 5-[8-[(2S)-2-fluoro-2-phenylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is DFIYWTLHUPAOCC-JANGERMGSA-N. The full InChI is InChI=1S/C19H14FN5O2/c20-19(11-4-2-1-3-5-11)9-14(19)12-8-15(24-25-7-6-21-16(12)25)13-10-22-18(27)23-17(13)26/h1-8,10,14H,9H2,(H2,22,23,26,27)/t14?,19-/m1/s1.
What are the key properties of 5-[8-[(2S)-2-fluoro-2-phenylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
5-[8-[(2S)-2-fluoro-2-phenylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 363.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[(2S)-2-fluoro-2-phenylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 157033518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).