(3S)-3-[3-bromo-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]oxypyrrolidin-2-one

C14H13BrN6O2 — CID 157157693

IUPAC(3S)-3-[3-bromo-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]oxypyrrolidin-2-one
SMILESCn1cc(-c2cc3ncc(Br)n3nc2O[C@H]2CCNC2=O)cn1
InChIInChI=1S/C14H13BrN6O2/c1-20-7-8(5-18-20)9-4-12-17-6-11(15)21(12)19-14(9)23-10-2-3-16-13(10)22/h4-7,10H,2-3H2,1H3,(H,16,22)/t10-/m0/s1
InChIKeyALZWKRAZVNHGKV-JTQLQIEISA-N
MW377.20 g/mol
LogP1.16
Rot. Bonds3

About (3S)-3-[3-bromo-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]oxypyrrolidin-2-one

(3S)-3-[3-bromo-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]oxypyrrolidin-2-one (PubChem CID 157157693) has the molecular formula C14H13BrN6O2 and a molecular weight of 377.20 g/mol. Its IUPAC name is (3S)-3-[3-bromo-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]oxypyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[3-bromo-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]oxypyrrolidin-2-one
PubChem CID157157693
Molecular FormulaC14H13BrN6O2
Molecular Weight377.20 g/mol
Exact Mass376.03
IUPAC Name(3S)-3-[3-bromo-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]oxypyrrolidin-2-one
SMILESCn1cc(-c2cc3ncc(Br)n3nc2O[C@H]2CCNC2=O)cn1
InChIInChI=1S/C14H13BrN6O2/c1-20-7-8(5-18-20)9-4-12-17-6-11(15)21(12)19-14(9)23-10-2-3-16-13(10)22/h4-7,10H,2-3H2,1H3,(H,16,22)/t10-/m0/s1
InChIKeyALZWKRAZVNHGKV-JTQLQIEISA-N
XLogP1.16
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.20
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-bromo-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]oxypyrrolidin-2-one?
The IUPAC name of (3S)-3-[3-bromo-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]oxypyrrolidin-2-one (CID 157157693) is (3S)-3-[3-bromo-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]oxypyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[3-bromo-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]oxypyrrolidin-2-one?
The canonical SMILES for (3S)-3-[3-bromo-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]oxypyrrolidin-2-one is Cn1cc(-c2cc3ncc(Br)n3nc2O[C@H]2CCNC2=O)cn1.
What is the InChIKey of (3S)-3-[3-bromo-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]oxypyrrolidin-2-one?
The InChIKey is ALZWKRAZVNHGKV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13BrN6O2/c1-20-7-8(5-18-20)9-4-12-17-6-11(15)21(12)19-14(9)23-10-2-3-16-13(10)22/h4-7,10H,2-3H2,1H3,(H,16,22)/t10-/m0/s1.
What are the key properties of (3S)-3-[3-bromo-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]oxypyrrolidin-2-one?
(3S)-3-[3-bromo-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]oxypyrrolidin-2-one has a molecular weight of 377.20 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-bromo-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]oxypyrrolidin-2-one is sourced from PubChem (CID 157157693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).