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

C24H24N8O — CID 66828364

IUPAC5-[5-[1-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CCCC6)nc5)n4)CCC3)cn2)cn1
InChIInChI=1S/C24H24N8O/c25-23-28-13-17(14-29-23)19-6-5-18(15-26-19)24(8-3-9-24)22-30-21(33-31-22)16-4-7-20(27-12-16)32-10-1-2-11-32/h4-7,12-15H,1-3,8-11H2,(H2,25,28,29)
InChIKeyMHJYWABAAFHALX-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.64
Rot. Bonds5

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

5-[5-[1-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 66828364) has the molecular formula C24H24N8O and a molecular weight of 440.51 g/mol. Its IUPAC name is 5-[5-[1-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[1-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID66828364
Molecular FormulaC24H24N8O
Molecular Weight440.51 g/mol
Exact Mass440.21
IUPAC Name5-[5-[1-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CCCC6)nc5)n4)CCC3)cn2)cn1
InChIInChI=1S/C24H24N8O/c25-23-28-13-17(14-29-23)19-6-5-18(15-26-19)24(8-3-9-24)22-30-21(33-31-22)16-4-7-20(27-12-16)32-10-1-2-11-32/h4-7,12-15H,1-3,8-11H2,(H2,25,28,29)
InChIKeyMHJYWABAAFHALX-UHFFFAOYSA-N
XLogP3.64
TPSA119.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[1-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 66828364) is 5-[5-[1-[5-(6-pyrrolidin-1-yl-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-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[1-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CCCC6)nc5)n4)CCC3)cn2)cn1.
What is the InChIKey of 5-[5-[1-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is MHJYWABAAFHALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O/c25-23-28-13-17(14-29-23)19-6-5-18(15-26-19)24(8-3-9-24)22-30-21(33-31-22)16-4-7-20(27-12-16)32-10-1-2-11-32/h4-7,12-15H,1-3,8-11H2,(H2,25,28,29).
What are the key properties of 5-[5-[1-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[1-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 440.51 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 66828364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).