5-[5-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

C19H18N8O — CID 56945090

IUPAC5-[5-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)n[nH]1
InChIInChI=1S/C19H18N8O/c1-11-7-15(26-25-11)16-24-17(27-28-16)19(5-2-6-19)13-3-4-14(21-10-13)12-8-22-18(20)23-9-12/h3-4,7-10H,2,5-6H2,1H3,(H,25,26)(H2,20,22,23)
InChIKeyBWJXTDQJFPUODC-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.67
Rot. Bonds4

About 5-[5-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

5-[5-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 56945090) has the molecular formula C19H18N8O and a molecular weight of 374.41 g/mol. Its IUPAC name is 5-[5-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID56945090
Molecular FormulaC19H18N8O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name5-[5-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)n[nH]1
InChIInChI=1S/C19H18N8O/c1-11-7-15(26-25-11)16-24-17(27-28-16)19(5-2-6-19)13-3-4-14(21-10-13)12-8-22-18(20)23-9-12/h3-4,7-10H,2,5-6H2,1H3,(H,25,26)(H2,20,22,23)
InChIKeyBWJXTDQJFPUODC-UHFFFAOYSA-N
XLogP2.67
TPSA132.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 56945090) is 5-[5-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is Cc1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)n[nH]1.
What is the InChIKey of 5-[5-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is BWJXTDQJFPUODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O/c1-11-7-15(26-25-11)16-24-17(27-28-16)19(5-2-6-19)13-3-4-14(21-10-13)12-8-22-18(20)23-9-12/h3-4,7-10H,2,5-6H2,1H3,(H,25,26)(H2,20,22,23).
What are the key properties of 5-[5-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 374.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 56945090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).