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

C17H20N6O2 — CID 155545957

IUPAC4-[[4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCOc1ccc2c(-c3ccnc(NC4CCC(O)CC4)n3)cnn2n1
InChIInChI=1S/C17H20N6O2/c1-25-16-7-6-15-13(10-19-23(15)22-16)14-8-9-18-17(21-14)20-11-2-4-12(24)5-3-11/h6-12,24H,2-5H2,1H3,(H,18,20,21)
InChIKeyKMSPLZROGICHNT-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.91
Rot. Bonds4

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

4-[[4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 155545957) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 4-[[4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID155545957
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name4-[[4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCOc1ccc2c(-c3ccnc(NC4CCC(O)CC4)n3)cnn2n1
InChIInChI=1S/C17H20N6O2/c1-25-16-7-6-15-13(10-19-23(15)22-16)14-8-9-18-17(21-14)20-11-2-4-12(24)5-3-11/h6-12,24H,2-5H2,1H3,(H,18,20,21)
InChIKeyKMSPLZROGICHNT-UHFFFAOYSA-N
XLogP1.91
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

Bms-690514
CID 11349170
Pyrazolo[1,5-b]pyridazine deriv. 29
CID 6539371
Pyrazolopyridazine 1
CID 6539361
Pyrazolo[1,5-b]pyridazine deriv. 33
CID 6539375
Pyrazolo[1,5-b]pyridazine deriv. 43
CID 6539385
Sgc-clk-1
CID 6539389
Pyrazolo[1,5-b]pyridazine deriv. 69
CID 6539411
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
Sdccggsk-0000152.P001
CID 11163861
(2S)-1-[4-[3-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]propan-2-ol
CID 57390669
Pyrazolopyridazine 2
CID 6539367
Pyrazolo[1,5-b]pyridazine deriv. 39
CID 6539381

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 155545957) is 4-[[4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol is COc1ccc2c(-c3ccnc(NC4CCC(O)CC4)n3)cnn2n1.
What is the InChIKey of 4-[[4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is KMSPLZROGICHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-25-16-7-6-15-13(10-19-23(15)22-16)14-8-9-18-17(21-14)20-11-2-4-12(24)5-3-11/h6-12,24H,2-5H2,1H3,(H,18,20,21).
What are the key properties of 4-[[4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
4-[[4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 340.39 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 155545957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).