1-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]cyclopentan-1-ol

C21H26N6O — CID 126913279

IUPAC1-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]cyclopentan-1-ol
SMILESOC1(CN2CCC(c3nnc4ccc(-c5cccnc5)nn34)CC2)CCCC1
InChIInChI=1S/C21H26N6O/c28-21(9-1-2-10-21)15-26-12-7-16(8-13-26)20-24-23-19-6-5-18(25-27(19)20)17-4-3-11-22-14-17/h3-6,11,14,16,28H,1-2,7-10,12-13,15H2
InChIKeyXXIGZZGLANKZRD-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.67
Rot. Bonds4

About 1-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]cyclopentan-1-ol

1-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]cyclopentan-1-ol (PubChem CID 126913279) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]cyclopentan-1-ol
PubChem CID126913279
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name1-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]cyclopentan-1-ol
SMILESOC1(CN2CCC(c3nnc4ccc(-c5cccnc5)nn34)CC2)CCCC1
InChIInChI=1S/C21H26N6O/c28-21(9-1-2-10-21)15-26-12-7-16(8-13-26)20-24-23-19-6-5-18(25-27(19)20)17-4-3-11-22-14-17/h3-6,11,14,16,28H,1-2,7-10,12-13,15H2
InChIKeyXXIGZZGLANKZRD-UHFFFAOYSA-N
XLogP2.67
TPSA79.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
Pyrazolo[1,5-a]-1,3,5-triazine, 13-8
CID 42618214
Pyrazolo[1,5-a]-1,3,5-triazine, 13-9
CID 42618215
4-(5-Isopropyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4870355
R-121920
CID 9951076
5-(Piperidin-3-yl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53322026
1-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-ol
CID 58335664
2-Phenyl-3-pyrid-4-yl-6-(4-pyrrolidin-1-ylpiperid-1-yl)imidazo[1,2-b]pyridazine
CID 59406955
4-(2-Methyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
CID 74766967
1-(2-Piperidin-1-ylethyl)-4-pyridin-3-ylpyrazolo[3,4-d]pyrimidine
CID 74767131
4-(6-Methyl-2-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
CID 74767209

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]cyclopentan-1-ol (CID 126913279) is 1-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]cyclopentan-1-ol is OC1(CN2CCC(c3nnc4ccc(-c5cccnc5)nn34)CC2)CCCC1.
What is the InChIKey of 1-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]cyclopentan-1-ol?
The InChIKey is XXIGZZGLANKZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c28-21(9-1-2-10-21)15-26-12-7-16(8-13-26)20-24-23-19-6-5-18(25-27(19)20)17-4-3-11-22-14-17/h3-6,11,14,16,28H,1-2,7-10,12-13,15H2.
What are the key properties of 1-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]cyclopentan-1-ol?
1-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]cyclopentan-1-ol has a molecular weight of 378.48 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]cyclopentan-1-ol is sourced from PubChem (CID 126913279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).