1-[4-[3-[(1S)-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 56952859

IUPAC1-[4-[3-[(1S)-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)/t24-/m0/s1
InChIKeyUYMSUZMSSYICIN-DEOSSOPVSA-N
MW460.54 g/mol
LogP3.31
Rot. Bonds8

About 1-[4-[3-[(1S)-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-[(1S)-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 56952859) has the molecular formula C24H28N8O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 1-[4-[3-[(1S)-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-[(1S)-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 CID56952859
Molecular FormulaC24H28N8O2
Molecular Weight460.54 g/mol
Exact Mass460.23
IUPAC Name1-[4-[3-[(1S)-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)/t24-/m0/s1
InChIKeyUYMSUZMSSYICIN-DEOSSOPVSA-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-[(1S)-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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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[(1S)-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-[(1S)-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 56952859) is 1-[4-[3-[(1S)-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-[(1S)-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-[(1S)-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-[(1S)-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-DEOSSOPVSA-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)/t24-/m0/s1.
What are the key properties of 1-[4-[3-[(1S)-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-[(1S)-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-[(1S)-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 56952859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).