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

C19H13ClFN5O2 — CID 157034901

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

5-[8-[(1R,2R)-2-(4-chloro-3-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (PubChem CID 157034901) has the molecular formula C19H13ClFN5O2 and a molecular weight of 397.80 g/mol. Its IUPAC name is 5-[8-[(1R,2R)-2-(4-chloro-3-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[8-[(1R,2R)-2-(4-chloro-3-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
• PubChem CID: 157034901
• Molecular Formula: C19H13ClFN5O2
• Molecular Weight: 397.80 g/mol
• Exact Mass: 397.07
• IUPAC Name: 5-[8-[(1R,2R)-2-(4-chloro-3-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
• SMILES: O=c1[nH]cc(-c2cc([C@@H]3C[C@H]3c3ccc(Cl)c(F)c3)c3nccn3n2)c(=O)[nH]1
• InChI: InChI=1S/C19H13ClFN5O2/c20-14-2-1-9(5-15(14)21)10-6-11(10)12-7-16(25-26-4-3-22-17(12)26)13-8-23-19(28)24-18(13)27/h1-5,7-8,10-11H,6H2,(H2,23,24,27,28)/t10-,11+/m0/s1
• InChIKey: PKQSEKAWVNXFJY-WDEREUQCSA-N
• XLogP: 2.84
• TPSA: 95.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.80
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[8-[(1R,2R)-2-(4-chloro-3-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?

The IUPAC name of 5-[8-[(1R,2R)-2-(4-chloro-3-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (CID 157034901) is 5-[8-[(1R,2R)-2-(4-chloro-3-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.

What is the SMILES notation for 5-[8-[(1R,2R)-2-(4-chloro-3-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?

The canonical SMILES for 5-[8-[(1R,2R)-2-(4-chloro-3-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc([C@@H]3C[C@H]3c3ccc(Cl)c(F)c3)c3nccn3n2)c(=O)[nH]1.

What is the InChIKey of 5-[8-[(1R,2R)-2-(4-chloro-3-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?

The InChIKey is PKQSEKAWVNXFJY-WDEREUQCSA-N. The full InChI is InChI=1S/C19H13ClFN5O2/c20-14-2-1-9(5-15(14)21)10-6-11(10)12-7-16(25-26-4-3-22-17(12)26)13-8-23-19(28)24-18(13)27/h1-5,7-8,10-11H,6H2,(H2,23,24,27,28)/t10-,11+/m0/s1.

What are the key properties of 5-[8-[(1R,2R)-2-(4-chloro-3-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?

5-[8-[(1R,2R)-2-(4-chloro-3-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 397.80 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8-[(1R,2R)-2-(4-chloro-3-fluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 157034901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).