3-[[4-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole

C16H19N7O — CID 154763837

IUPAC3-[[4-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole
SMILESCn1cc(-c2ccnc(C3CCN(Cc4cnon4)CC3)n2)cn1
InChIInChI=1S/C16H19N7O/c1-22-10-13(8-18-22)15-2-5-17-16(20-15)12-3-6-23(7-4-12)11-14-9-19-24-21-14/h2,5,8-10,12H,3-4,6-7,11H2,1H3
InChIKeyHTOVWMMLSNZUCY-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.64
Rot. Bonds4

About 3-[[4-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole

3-[[4-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole (PubChem CID 154763837) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 3-[[4-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-[[4-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole
PubChem CID154763837
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name3-[[4-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole
SMILESCn1cc(-c2ccnc(C3CCN(Cc4cnon4)CC3)n2)cn1
InChIInChI=1S/C16H19N7O/c1-22-10-13(8-18-22)15-2-5-17-16(20-15)12-3-6-23(7-4-12)11-14-9-19-24-21-14/h2,5,8-10,12H,3-4,6-7,11H2,1H3
InChIKeyHTOVWMMLSNZUCY-UHFFFAOYSA-N
XLogP1.64
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[[4-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole with MolForge

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Related Compounds

3-[[4-[4-(3-fluorophenyl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole
CID 154763839
4-methyl-2-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidine
CID 138038763
3-cyclopropyl-5-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 86773607
3-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2,5-oxadiazole
CID 126911048
3-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]phenol
CID 31192925
2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
CID 133411504
N-[(1-benzylpyrrolidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 45230985
(5S)-3-methyl-5-[[4-(4-pyrimidin-5-ylpyrimidin-2-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 171359459
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 45252895
methyl 4-[5-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 159553532
4-(1-methylpyrazol-4-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 31125821
4-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 129086023

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole?
The IUPAC name of 3-[[4-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole (CID 154763837) is 3-[[4-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole.
What is the SMILES notation for 3-[[4-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole?
The canonical SMILES for 3-[[4-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole is Cn1cc(-c2ccnc(C3CCN(Cc4cnon4)CC3)n2)cn1.
What is the InChIKey of 3-[[4-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole?
The InChIKey is HTOVWMMLSNZUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-22-10-13(8-18-22)15-2-5-17-16(20-15)12-3-6-23(7-4-12)11-14-9-19-24-21-14/h2,5,8-10,12H,3-4,6-7,11H2,1H3.
What are the key properties of 3-[[4-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole?
3-[[4-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole has a molecular weight of 325.38 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,2,5-oxadiazole is sourced from PubChem (CID 154763837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).