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

C22H18N8O — CID 56944230

IUPAC5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(C3(c4noc(-c5ccc6nccn6c5)n4)CCC3)cn2)cn1
InChIInChI=1S/C22H18N8O/c23-21-26-10-15(11-27-21)17-4-3-16(12-25-17)22(6-1-7-22)20-28-19(31-29-20)14-2-5-18-24-8-9-30(18)13-14/h2-5,8-13H,1,6-7H2,(H2,23,26,27)
InChIKeyZHLVPNGHCZEGQV-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.29
Rot. Bonds4

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

5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 56944230) has the molecular formula C22H18N8O and a molecular weight of 410.44 g/mol. Its IUPAC name is 5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID56944230
Molecular FormulaC22H18N8O
Molecular Weight410.44 g/mol
Exact Mass410.16
IUPAC Name5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(C3(c4noc(-c5ccc6nccn6c5)n4)CCC3)cn2)cn1
InChIInChI=1S/C22H18N8O/c23-21-26-10-15(11-27-21)17-4-3-16(12-25-17)22(6-1-7-22)20-28-19(31-29-20)14-2-5-18-24-8-9-30(18)13-14/h2-5,8-13H,1,6-7H2,(H2,23,26,27)
InChIKeyZHLVPNGHCZEGQV-UHFFFAOYSA-N
XLogP3.29
TPSA120.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.29
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-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 56944230) is 5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(C3(c4noc(-c5ccc6nccn6c5)n4)CCC3)cn2)cn1.
What is the InChIKey of 5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is ZHLVPNGHCZEGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N8O/c23-21-26-10-15(11-27-21)17-4-3-16(12-25-17)22(6-1-7-22)20-28-19(31-29-20)14-2-5-18-24-8-9-30(18)13-14/h2-5,8-13H,1,6-7H2,(H2,23,26,27).
What are the key properties of 5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 410.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 56944230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).