1-[4-[3-[1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol

C24H28N8O2 — CID 56952858

IUPAC1-[4-[3-[1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCNc1cnc(-c2ccc(C(C)(c3noc(-c4cnn(CC(C)(C)O)c4)n3)C3CC3)cn2)cn1
InChIInChI=1S/C24H28N8O2/c1-23(2,33)14-32-13-15(9-29-32)21-30-22(31-34-21)24(3,16-5-6-16)17-7-8-18(26-10-17)19-11-28-20(25-4)12-27-19/h7-13,16,33H,5-6,14H2,1-4H3,(H,25,28)
InChIKeyUYMSUZMSSYICIN-UHFFFAOYSA-N
MW460.54 g/mol
LogP3.31
Rot. Bonds8

About 1-[4-[3-[1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol

1-[4-[3-[1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 56952858) has the molecular formula C24H28N8O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 1-[4-[3-[1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[3-[1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID56952858
Molecular FormulaC24H28N8O2
Molecular Weight460.54 g/mol
Exact Mass460.23
IUPAC Name1-[4-[3-[1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCNc1cnc(-c2ccc(C(C)(c3noc(-c4cnn(CC(C)(C)O)c4)n3)C3CC3)cn2)cn1
InChIInChI=1S/C24H28N8O2/c1-23(2,33)14-32-13-15(9-29-32)21-30-22(31-34-21)24(3,16-5-6-16)17-7-8-18(26-10-17)19-11-28-20(25-4)12-27-19/h7-13,16,33H,5-6,14H2,1-4H3,(H,25,28)
InChIKeyUYMSUZMSSYICIN-UHFFFAOYSA-N
XLogP3.31
TPSA127.67 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[4-[3-[1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol with MolForge

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Related Compounds

1-[3-Azanyl-6-[1-Methyl-5-(1-Phenylcyclopropyl)-1,2,4-Triazol-3-Yl]pyrazin-2-Yl]pyrazole-4-Carboxamide
CID 126480572
1-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 56838673
5-[4-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine
CID 56838888
2-[4-[3-[(1R)-1-cyclopropyl-1-[4-[2-(methylamino)pyrimidin-5-yl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 56839757
2-[4-[3-[1-cyclopropyl-1-[4-[2-(ethylamino)pyrimidin-5-yl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 56840400
5-[5-[1-[5-[1-(2-Methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56944231
2-[4-[3-[1-[6-(2-Aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-1-ol
CID 56944323
1-[4-[3-[1-[6-(2-Aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 56944712
5-[5-[1-[5-[1-(Oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56944713
5-[5-[1-[5-(1-Ethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56944901
2-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 56952040
2-[4-[3-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile
CID 56952460

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[3-[1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol (CID 56952858) is 1-[4-[3-[1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[3-[1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[3-[1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol is CNc1cnc(-c2ccc(C(C)(c3noc(-c4cnn(CC(C)(C)O)c4)n3)C3CC3)cn2)cn1.
What is the InChIKey of 1-[4-[3-[1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is UYMSUZMSSYICIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2/c1-23(2,33)14-32-13-15(9-29-32)21-30-22(31-34-21)24(3,16-5-6-16)17-7-8-18(26-10-17)19-11-28-20(25-4)12-27-19/h7-13,16,33H,5-6,14H2,1-4H3,(H,25,28).
What are the key properties of 1-[4-[3-[1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
1-[4-[3-[1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 460.54 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[1-cyclopropyl-1-[6-[5-(methylamino)pyrazin-2-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 56952858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).