4-[[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol

C20H25N7O2 — CID 155563194

IUPAC4-[[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nccc(-c3cnn4nc(N5CCOCC5)ccc34)n2)CC1
InChIInChI=1S/C20H25N7O2/c28-15-3-1-14(2-4-15)23-20-21-8-7-17(24-20)16-13-22-27-18(16)5-6-19(25-27)26-9-11-29-12-10-26/h5-8,13-15,28H,1-4,9-12H2,(H,21,23,24)
InChIKeyAVBMKZJCPMTLQS-UHFFFAOYSA-N
MW395.47 g/mol
LogP1.74
Rot. Bonds4

About 4-[[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol

4-[[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 155563194) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 4-[[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID155563194
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name4-[[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nccc(-c3cnn4nc(N5CCOCC5)ccc34)n2)CC1
InChIInChI=1S/C20H25N7O2/c28-15-3-1-14(2-4-15)23-20-21-8-7-17(24-20)16-13-22-27-18(16)5-6-19(25-27)26-9-11-29-12-10-26/h5-8,13-15,28H,1-4,9-12H2,(H,21,23,24)
InChIKeyAVBMKZJCPMTLQS-UHFFFAOYSA-N
XLogP1.74
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 155563194) is 4-[[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nccc(-c3cnn4nc(N5CCOCC5)ccc34)n2)CC1.
What is the InChIKey of 4-[[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is AVBMKZJCPMTLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c28-15-3-1-14(2-4-15)23-20-21-8-7-17(24-20)16-13-22-27-18(16)5-6-19(25-27)26-9-11-29-12-10-26/h5-8,13-15,28H,1-4,9-12H2,(H,21,23,24).
What are the key properties of 4-[[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
4-[[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 395.47 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 155563194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).