methyl N-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamate

C19H22N6O2 — CID 131739759

IUPACmethyl N-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamate
SMILESCOC(=O)NC1CCC(Nc2ccc3ncc(-c4ccncc4)n3n2)CC1
InChIInChI=1S/C19H22N6O2/c1-27-19(26)23-15-4-2-14(3-5-15)22-17-6-7-18-21-12-16(25(18)24-17)13-8-10-20-11-9-13/h6-12,14-15H,2-5H2,1H3,(H,22,24)(H,23,26)
InChIKeyBFVPIQQPQCOXGX-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.87
Rot. Bonds4

About methyl N-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamate

methyl N-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamate (PubChem CID 131739759) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is methyl N-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamate
PubChem CID131739759
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Namemethyl N-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamate
SMILESCOC(=O)NC1CCC(Nc2ccc3ncc(-c4ccncc4)n3n2)CC1
InChIInChI=1S/C19H22N6O2/c1-27-19(26)23-15-4-2-14(3-5-15)22-17-6-7-18-21-12-16(25(18)24-17)13-8-10-20-11-9-13/h6-12,14-15H,2-5H2,1H3,(H,22,24)(H,23,26)
InChIKeyBFVPIQQPQCOXGX-UHFFFAOYSA-N
XLogP2.87
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl N-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamate?
The IUPAC name of methyl N-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamate (CID 131739759) is methyl N-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamate.
What is the SMILES notation for methyl N-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamate?
The canonical SMILES for methyl N-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamate is COC(=O)NC1CCC(Nc2ccc3ncc(-c4ccncc4)n3n2)CC1.
What is the InChIKey of methyl N-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamate?
The InChIKey is BFVPIQQPQCOXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-27-19(26)23-15-4-2-14(3-5-15)22-17-6-7-18-21-12-16(25(18)24-17)13-8-10-20-11-9-13/h6-12,14-15H,2-5H2,1H3,(H,22,24)(H,23,26).
What are the key properties of methyl N-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamate?
methyl N-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamate has a molecular weight of 366.43 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 131739759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).