1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol

C24H25N5O3 — CID 66695736

IUPAC1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1cc(-c2ccncc2)nn2c(-c3ccc(C4OCCO4)cc3)cnc12
InChIInChI=1S/C24H25N5O3/c1-24(2,30)15-27-20-13-19(16-7-9-25-10-8-16)28-29-21(14-26-22(20)29)17-3-5-18(6-4-17)23-31-11-12-32-23/h3-10,13-14,23,27,30H,11-12,15H2,1-2H3
InChIKeyCGMLIPSMGVCIIT-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.69
Rot. Bonds6

About 1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol

1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol (PubChem CID 66695736) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol
PubChem CID66695736
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1cc(-c2ccncc2)nn2c(-c3ccc(C4OCCO4)cc3)cnc12
InChIInChI=1S/C24H25N5O3/c1-24(2,30)15-27-20-13-19(16-7-9-25-10-8-16)28-29-21(14-26-22(20)29)17-3-5-18(6-4-17)23-31-11-12-32-23/h3-10,13-14,23,27,30H,11-12,15H2,1-2H3
InChIKeyCGMLIPSMGVCIIT-UHFFFAOYSA-N
XLogP3.69
TPSA93.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol (CID 66695736) is 1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol is CC(C)(O)CNc1cc(-c2ccncc2)nn2c(-c3ccc(C4OCCO4)cc3)cnc12.
What is the InChIKey of 1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol?
The InChIKey is CGMLIPSMGVCIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-24(2,30)15-27-20-13-19(16-7-9-25-10-8-16)28-29-21(14-26-22(20)29)17-3-5-18(6-4-17)23-31-11-12-32-23/h3-10,13-14,23,27,30H,11-12,15H2,1-2H3.
What are the key properties of 1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol?
1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol has a molecular weight of 431.50 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[4-(1,3-dioxolan-2-yl)phenyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazin-8-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 66695736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).