2-[(1R,3R)-3-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol

C20H23ClN4O — CID 71235269

IUPAC2-[(1R,3R)-3-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol
SMILESCC(C)(O)[C@@H]1CC[C@@H](Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)C1
InChIInChI=1S/C20H23ClN4O/c1-20(2,26)14-6-7-16(11-14)23-18-8-9-19-22-12-17(25(19)24-18)13-4-3-5-15(21)10-13/h3-5,8-10,12,14,16,26H,6-7,11H2,1-2H3,(H,23,24)/t14-,16-/m1/s1
InChIKeyVHKPSLFBOSSRNO-GDBMZVCRSA-N
MW370.88 g/mol
LogP4.40
Rot. Bonds4

About 2-[(1R,3R)-3-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol

2-[(1R,3R)-3-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol (PubChem CID 71235269) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-[(1R,3R)-3-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol.

Molecular Properties

Compound Name2-[(1R,3R)-3-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol
PubChem CID71235269
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name2-[(1R,3R)-3-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol
SMILESCC(C)(O)[C@@H]1CC[C@@H](Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)C1
InChIInChI=1S/C20H23ClN4O/c1-20(2,26)14-6-7-16(11-14)23-18-8-9-19-22-12-17(25(19)24-18)13-4-3-5-15(21)10-13/h3-5,8-10,12,14,16,26H,6-7,11H2,1-2H3,(H,23,24)/t14-,16-/m1/s1
InChIKeyVHKPSLFBOSSRNO-GDBMZVCRSA-N
XLogP4.40
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3R)-3-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol?
The IUPAC name of 2-[(1R,3R)-3-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol (CID 71235269) is 2-[(1R,3R)-3-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol.
What is the SMILES notation for 2-[(1R,3R)-3-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol?
The canonical SMILES for 2-[(1R,3R)-3-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol is CC(C)(O)[C@@H]1CC[C@@H](Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)C1.
What is the InChIKey of 2-[(1R,3R)-3-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol?
The InChIKey is VHKPSLFBOSSRNO-GDBMZVCRSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-20(2,26)14-6-7-16(11-14)23-18-8-9-19-22-12-17(25(19)24-18)13-4-3-5-15(21)10-13/h3-5,8-10,12,14,16,26H,6-7,11H2,1-2H3,(H,23,24)/t14-,16-/m1/s1.
What are the key properties of 2-[(1R,3R)-3-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol?
2-[(1R,3R)-3-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol has a molecular weight of 370.88 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3R)-3-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol is sourced from PubChem (CID 71235269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).