[4-(3-pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-pyrrolidin-1-ylmethanone

C20H23N7O — CID 71727036

IUPAC[4-(3-pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCN(c2ccc3ncc(-c4ccccn4)n3n2)CC1
InChIInChI=1S/C20H23N7O/c28-20(25-9-3-4-10-25)26-13-11-24(12-14-26)19-7-6-18-22-15-17(27(18)23-19)16-5-1-2-8-21-16/h1-2,5-8,15H,3-4,9-14H2
InChIKeyYRLQBLKDFRPCBZ-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.13
Rot. Bonds2

About [4-(3-pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-pyrrolidin-1-ylmethanone

[4-(3-pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 71727036) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is [4-(3-pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(3-pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID71727036
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name[4-(3-pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCN(c2ccc3ncc(-c4ccccn4)n3n2)CC1
InChIInChI=1S/C20H23N7O/c28-20(25-9-3-4-10-25)26-13-11-24(12-14-26)19-7-6-18-22-15-17(27(18)23-19)16-5-1-2-8-21-16/h1-2,5-8,15H,3-4,9-14H2
InChIKeyYRLQBLKDFRPCBZ-UHFFFAOYSA-N
XLogP2.13
TPSA69.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(3-pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(3-pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-pyrrolidin-1-ylmethanone (CID 71727036) is [4-(3-pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(3-pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(3-pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1CCN(c2ccc3ncc(-c4ccccn4)n3n2)CC1.
What is the InChIKey of [4-(3-pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YRLQBLKDFRPCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c28-20(25-9-3-4-10-25)26-13-11-24(12-14-26)19-7-6-18-22-15-17(27(18)23-19)16-5-1-2-8-21-16/h1-2,5-8,15H,3-4,9-14H2.
What are the key properties of [4-(3-pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-pyrrolidin-1-ylmethanone?
[4-(3-pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 377.45 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 71727036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).