2-methyl-1-[4-[3-[1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol

C23H26N8O2 — CID 56943740

IUPAC2-methyl-1-[4-[3-[1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol
SMILESCNc1cnc(-c2ccc(C3(c4noc(-c5cnn(CC(C)(C)O)c5)n4)CCC3)cn2)cn1
InChIInChI=1S/C23H26N8O2/c1-22(2,32)14-31-13-15(9-28-31)20-29-21(30-33-20)23(7-4-8-23)16-5-6-17(25-10-16)18-11-27-19(24-3)12-26-18/h5-6,9-13,32H,4,7-8,14H2,1-3H3,(H,24,27)
InChIKeyUNGGQKXBNILEOQ-UHFFFAOYSA-N
MW446.52 g/mol
LogP3.07
Rot. Bonds7

About 2-methyl-1-[4-[3-[1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol

2-methyl-1-[4-[3-[1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol (PubChem CID 56943740) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is 2-methyl-1-[4-[3-[1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[4-[3-[1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol
PubChem CID56943740
Molecular FormulaC23H26N8O2
Molecular Weight446.52 g/mol
Exact Mass446.22
IUPAC Name2-methyl-1-[4-[3-[1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol
SMILESCNc1cnc(-c2ccc(C3(c4noc(-c5cnn(CC(C)(C)O)c5)n4)CCC3)cn2)cn1
InChIInChI=1S/C23H26N8O2/c1-22(2,32)14-31-13-15(9-28-31)20-29-21(30-33-20)23(7-4-8-23)16-5-6-17(25-10-16)18-11-27-19(24-3)12-26-18/h5-6,9-13,32H,4,7-8,14H2,1-3H3,(H,24,27)
InChIKeyUNGGQKXBNILEOQ-UHFFFAOYSA-N
XLogP3.07
TPSA127.67 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-methyl-1-[4-[3-[1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[3-[1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[4-[3-[1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol (CID 56943740) is 2-methyl-1-[4-[3-[1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[4-[3-[1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[4-[3-[1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol is CNc1cnc(-c2ccc(C3(c4noc(-c5cnn(CC(C)(C)O)c5)n4)CCC3)cn2)cn1.
What is the InChIKey of 2-methyl-1-[4-[3-[1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol?
The InChIKey is UNGGQKXBNILEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2/c1-22(2,32)14-31-13-15(9-28-31)20-29-21(30-33-20)23(7-4-8-23)16-5-6-17(25-10-16)18-11-27-19(24-3)12-26-18/h5-6,9-13,32H,4,7-8,14H2,1-3H3,(H,24,27).
What are the key properties of 2-methyl-1-[4-[3-[1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol?
2-methyl-1-[4-[3-[1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol has a molecular weight of 446.52 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[3-[1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 56943740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).