ethyl-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamic acid

C20H24N6O2 — CID 90896510

IUPACethyl-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamic acid
SMILESCCN(C(=O)O)C1CCC(Nc2ccc3ncc(-c4ccncc4)n3n2)CC1
InChIInChI=1S/C20H24N6O2/c1-2-25(20(27)28)16-5-3-15(4-6-16)23-18-7-8-19-22-13-17(26(19)24-18)14-9-11-21-12-10-14/h7-13,15-16H,2-6H2,1H3,(H,23,24)(H,27,28)
InChIKeyUCWKXLCEJIYGMX-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.51
Rot. Bonds5

About ethyl-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamic acid

ethyl-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamic acid (PubChem CID 90896510) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is ethyl-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Nameethyl-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamic acid
PubChem CID90896510
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Nameethyl-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamic acid
SMILESCCN(C(=O)O)C1CCC(Nc2ccc3ncc(-c4ccncc4)n3n2)CC1
InChIInChI=1S/C20H24N6O2/c1-2-25(20(27)28)16-5-3-15(4-6-16)23-18-7-8-19-22-13-17(26(19)24-18)14-9-11-21-12-10-14/h7-13,15-16H,2-6H2,1H3,(H,23,24)(H,27,28)
InChIKeyUCWKXLCEJIYGMX-UHFFFAOYSA-N
XLogP3.51
TPSA95.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamic acid?
The IUPAC name of ethyl-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamic acid (CID 90896510) is ethyl-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamic acid.
What is the SMILES notation for ethyl-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamic acid?
The canonical SMILES for ethyl-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamic acid is CCN(C(=O)O)C1CCC(Nc2ccc3ncc(-c4ccncc4)n3n2)CC1.
What is the InChIKey of ethyl-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamic acid?
The InChIKey is UCWKXLCEJIYGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-2-25(20(27)28)16-5-3-15(4-6-16)23-18-7-8-19-22-13-17(26(19)24-18)14-9-11-21-12-10-14/h7-13,15-16H,2-6H2,1H3,(H,23,24)(H,27,28).
What are the key properties of ethyl-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamic acid?
ethyl-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamic acid has a molecular weight of 380.45 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamic acid is sourced from PubChem (CID 90896510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).