propan-2-yl 4-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate

C20H24N6O3 — CID 86696477

IUPACpropan-2-yl 4-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate
SMILESCOc1ncccc1-c1cnc2ccc(N3CCN(C(=O)OC(C)C)CC3)nn12
InChIInChI=1S/C20H24N6O3/c1-14(2)29-20(27)25-11-9-24(10-12-25)18-7-6-17-22-13-16(26(17)23-18)15-5-4-8-21-19(15)28-3/h4-8,13-14H,9-12H2,1-3H3
InChIKeyPHLFOBNBRGKXMV-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.47
Rot. Bonds4

About propan-2-yl 4-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate

propan-2-yl 4-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate (PubChem CID 86696477) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is propan-2-yl 4-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate
PubChem CID86696477
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Namepropan-2-yl 4-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate
SMILESCOc1ncccc1-c1cnc2ccc(N3CCN(C(=O)OC(C)C)CC3)nn12
InChIInChI=1S/C20H24N6O3/c1-14(2)29-20(27)25-11-9-24(10-12-25)18-7-6-17-22-13-16(26(17)23-18)15-5-4-8-21-19(15)28-3/h4-8,13-14H,9-12H2,1-3H3
InChIKeyPHLFOBNBRGKXMV-UHFFFAOYSA-N
XLogP2.47
TPSA85.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate (CID 86696477) is propan-2-yl 4-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate is COc1ncccc1-c1cnc2ccc(N3CCN(C(=O)OC(C)C)CC3)nn12.
What is the InChIKey of propan-2-yl 4-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate?
The InChIKey is PHLFOBNBRGKXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-14(2)29-20(27)25-11-9-24(10-12-25)18-7-6-17-22-13-16(26(17)23-18)15-5-4-8-21-19(15)28-3/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of propan-2-yl 4-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate?
propan-2-yl 4-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate has a molecular weight of 396.45 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate is sourced from PubChem (CID 86696477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).