1-[4-[5-amino-6-[5-[4-[(1S)-1-aminoethyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]cyclobutane-1-carbonitrile

C24H22N8O — CID 66562458

IUPAC1-[4-[5-amino-6-[5-[4-[(1S)-1-aminoethyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]cyclobutane-1-carbonitrile
SMILESC[C@H](N)c1ccc(-c2nnc(-c3nc(-c4ccnc(C5(C#N)CCC5)c4)cnc3N)o2)cc1
InChIInChI=1S/C24H22N8O/c1-14(26)15-3-5-16(6-4-15)22-31-32-23(33-22)20-21(27)29-12-18(30-20)17-7-10-28-19(11-17)24(13-25)8-2-9-24/h3-7,10-12,14H,2,8-9,26H2,1H3,(H2,27,29)/t14-/m0/s1
InChIKeyPUBJBCLIWAYBGB-AWEZNQCLSA-N
MW438.50 g/mol
LogP3.80
Rot. Bonds5

About 1-[4-[5-amino-6-[5-[4-[(1S)-1-aminoethyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]cyclobutane-1-carbonitrile

1-[4-[5-amino-6-[5-[4-[(1S)-1-aminoethyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]cyclobutane-1-carbonitrile (PubChem CID 66562458) has the molecular formula C24H22N8O and a molecular weight of 438.50 g/mol. Its IUPAC name is 1-[4-[5-amino-6-[5-[4-[(1S)-1-aminoethyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-[5-amino-6-[5-[4-[(1S)-1-aminoethyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]cyclobutane-1-carbonitrile
PubChem CID66562458
Molecular FormulaC24H22N8O
Molecular Weight438.50 g/mol
Exact Mass438.19
IUPAC Name1-[4-[5-amino-6-[5-[4-[(1S)-1-aminoethyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]cyclobutane-1-carbonitrile
SMILESC[C@H](N)c1ccc(-c2nnc(-c3nc(-c4ccnc(C5(C#N)CCC5)c4)cnc3N)o2)cc1
InChIInChI=1S/C24H22N8O/c1-14(26)15-3-5-16(6-4-15)22-31-32-23(33-22)20-21(27)29-12-18(30-20)17-7-10-28-19(11-17)24(13-25)8-2-9-24/h3-7,10-12,14H,2,8-9,26H2,1H3,(H2,27,29)/t14-/m0/s1
InChIKeyPUBJBCLIWAYBGB-AWEZNQCLSA-N
XLogP3.80
TPSA153.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[4-[5-amino-6-[5-[4-[(1S)-1-aminoethyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]cyclobutane-1-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-amino-6-[5-[4-[(1S)-1-aminoethyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[4-[5-amino-6-[5-[4-[(1S)-1-aminoethyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]cyclobutane-1-carbonitrile (CID 66562458) is 1-[4-[5-amino-6-[5-[4-[(1S)-1-aminoethyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[4-[5-amino-6-[5-[4-[(1S)-1-aminoethyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[4-[5-amino-6-[5-[4-[(1S)-1-aminoethyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]cyclobutane-1-carbonitrile is C[C@H](N)c1ccc(-c2nnc(-c3nc(-c4ccnc(C5(C#N)CCC5)c4)cnc3N)o2)cc1.
What is the InChIKey of 1-[4-[5-amino-6-[5-[4-[(1S)-1-aminoethyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]cyclobutane-1-carbonitrile?
The InChIKey is PUBJBCLIWAYBGB-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H22N8O/c1-14(26)15-3-5-16(6-4-15)22-31-32-23(33-22)20-21(27)29-12-18(30-20)17-7-10-28-19(11-17)24(13-25)8-2-9-24/h3-7,10-12,14H,2,8-9,26H2,1H3,(H2,27,29)/t14-/m0/s1.
What are the key properties of 1-[4-[5-amino-6-[5-[4-[(1S)-1-aminoethyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]cyclobutane-1-carbonitrile?
1-[4-[5-amino-6-[5-[4-[(1S)-1-aminoethyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]cyclobutane-1-carbonitrile has a molecular weight of 438.50 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-amino-6-[5-[4-[(1S)-1-aminoethyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 66562458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).