N-(4-ethoxycyclohexyl)-8-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-amine

C20H25N5O — CID 91509495

IUPACN-(4-ethoxycyclohexyl)-8-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-amine
SMILESCCOC1CCC(Nc2nc3c(C)ccnn3c2-c2ccncc2)CC1
InChIInChI=1S/C20H25N5O/c1-3-26-17-6-4-16(5-7-17)23-19-18(15-9-11-21-12-10-15)25-20(24-19)14(2)8-13-22-25/h8-13,16-17,23H,3-7H2,1-2H3
InChIKeyDCIGXRNKFDUPGB-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.86
Rot. Bonds5

About N-(4-ethoxycyclohexyl)-8-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-amine

N-(4-ethoxycyclohexyl)-8-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-amine (PubChem CID 91509495) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(4-ethoxycyclohexyl)-8-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-amine.

Molecular Properties

Compound NameN-(4-ethoxycyclohexyl)-8-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-amine
PubChem CID91509495
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-(4-ethoxycyclohexyl)-8-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-amine
SMILESCCOC1CCC(Nc2nc3c(C)ccnn3c2-c2ccncc2)CC1
InChIInChI=1S/C20H25N5O/c1-3-26-17-6-4-16(5-7-17)23-19-18(15-9-11-21-12-10-15)25-20(24-19)14(2)8-13-22-25/h8-13,16-17,23H,3-7H2,1-2H3
InChIKeyDCIGXRNKFDUPGB-UHFFFAOYSA-N
XLogP3.86
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxycyclohexyl)-8-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-amine?
The IUPAC name of N-(4-ethoxycyclohexyl)-8-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-amine (CID 91509495) is N-(4-ethoxycyclohexyl)-8-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-amine.
What is the SMILES notation for N-(4-ethoxycyclohexyl)-8-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-amine?
The canonical SMILES for N-(4-ethoxycyclohexyl)-8-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-amine is CCOC1CCC(Nc2nc3c(C)ccnn3c2-c2ccncc2)CC1.
What is the InChIKey of N-(4-ethoxycyclohexyl)-8-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-amine?
The InChIKey is DCIGXRNKFDUPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-3-26-17-6-4-16(5-7-17)23-19-18(15-9-11-21-12-10-15)25-20(24-19)14(2)8-13-22-25/h8-13,16-17,23H,3-7H2,1-2H3.
What are the key properties of N-(4-ethoxycyclohexyl)-8-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-amine?
N-(4-ethoxycyclohexyl)-8-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-amine has a molecular weight of 351.45 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxycyclohexyl)-8-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-amine is sourced from PubChem (CID 91509495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).