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

C22H18N8O — CID 56945089

IUPAC5-[5-[1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(C3(c4noc(-c5ccc6[nH]ncc6c5)n4)CCC3)cn2)cn1
InChIInChI=1S/C22H18N8O/c23-21-25-9-15(10-26-21)17-5-3-16(12-24-17)22(6-1-7-22)20-28-19(31-30-20)13-2-4-18-14(8-13)11-27-29-18/h2-5,8-12H,1,6-7H2,(H,27,29)(H2,23,25,26)
InChIKeyRZMMYWOGWXTTOQ-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.52
Rot. Bonds4

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

5-[5-[1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 56945089) has the molecular formula C22H18N8O and a molecular weight of 410.44 g/mol. Its IUPAC name is 5-[5-[1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID56945089
Molecular FormulaC22H18N8O
Molecular Weight410.44 g/mol
Exact Mass410.16
IUPAC Name5-[5-[1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(C3(c4noc(-c5ccc6[nH]ncc6c5)n4)CCC3)cn2)cn1
InChIInChI=1S/C22H18N8O/c23-21-25-9-15(10-26-21)17-5-3-16(12-24-17)22(6-1-7-22)20-28-19(31-30-20)13-2-4-18-14(8-13)11-27-29-18/h2-5,8-12H,1,6-7H2,(H,27,29)(H2,23,25,26)
InChIKeyRZMMYWOGWXTTOQ-UHFFFAOYSA-N
XLogP3.52
TPSA132.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.52
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-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 56945089) is 5-[5-[1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(C3(c4noc(-c5ccc6[nH]ncc6c5)n4)CCC3)cn2)cn1.
What is the InChIKey of 5-[5-[1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is RZMMYWOGWXTTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N8O/c23-21-25-9-15(10-26-21)17-5-3-16(12-24-17)22(6-1-7-22)20-28-19(31-30-20)13-2-4-18-14(8-13)11-27-29-18/h2-5,8-12H,1,6-7H2,(H,27,29)(H2,23,25,26).
What are the key properties of 5-[5-[1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 410.44 g/mol, XLogP of 3.52, 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-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 56945089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).