5-[5-[1-[5-[6-(cyclopropylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

C23H22N8O — CID 56943931

IUPAC5-[5-[1-[5-[6-(cyclopropylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(C3(c4noc(-c5ccc(NC6CC6)nc5)n4)CCC3)cn2)cn1
InChIInChI=1S/C23H22N8O/c24-22-27-11-15(12-28-22)18-6-3-16(13-25-18)23(8-1-9-23)21-30-20(32-31-21)14-2-7-19(26-10-14)29-17-4-5-17/h2-3,6-7,10-13,17H,1,4-5,8-9H2,(H,26,29)(H2,24,27,28)
InChIKeyUYHHTUFGCNMJGL-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.61
Rot. Bonds6

About 5-[5-[1-[5-[6-(cyclopropylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

5-[5-[1-[5-[6-(cyclopropylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 56943931) has the molecular formula C23H22N8O and a molecular weight of 426.48 g/mol. Its IUPAC name is 5-[5-[1-[5-[6-(cyclopropylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[1-[5-[6-(cyclopropylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID56943931
Molecular FormulaC23H22N8O
Molecular Weight426.48 g/mol
Exact Mass426.19
IUPAC Name5-[5-[1-[5-[6-(cyclopropylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(C3(c4noc(-c5ccc(NC6CC6)nc5)n4)CCC3)cn2)cn1
InChIInChI=1S/C23H22N8O/c24-22-27-11-15(12-28-22)18-6-3-16(13-25-18)23(8-1-9-23)21-30-20(32-31-21)14-2-7-19(26-10-14)29-17-4-5-17/h2-3,6-7,10-13,17H,1,4-5,8-9H2,(H,26,29)(H2,24,27,28)
InChIKeyUYHHTUFGCNMJGL-UHFFFAOYSA-N
XLogP3.61
TPSA128.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[5-[6-(cyclopropylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[1-[5-[6-(cyclopropylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 56943931) is 5-[5-[1-[5-[6-(cyclopropylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[1-[5-[6-(cyclopropylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[1-[5-[6-(cyclopropylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(NC6CC6)nc5)n4)CCC3)cn2)cn1.
What is the InChIKey of 5-[5-[1-[5-[6-(cyclopropylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is UYHHTUFGCNMJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O/c24-22-27-11-15(12-28-22)18-6-3-16(13-25-18)23(8-1-9-23)21-30-20(32-31-21)14-2-7-19(26-10-14)29-17-4-5-17/h2-3,6-7,10-13,17H,1,4-5,8-9H2,(H,26,29)(H2,24,27,28).
What are the key properties of 5-[5-[1-[5-[6-(cyclopropylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[1-[5-[6-(cyclopropylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 426.48 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[5-[6-(cyclopropylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 56943931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).