3-[4-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one

C24H23N7O2 — CID 166213616

IUPAC3-[4-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one
SMILESCc1c[nH]c(=O)n1-c1ccc(-c2noc(-c3cc(C4CC4)nc4c3cnn4C(C)C)n2)cc1
InChIInChI=1S/C24H23N7O2/c1-13(2)31-22-19(12-26-31)18(10-20(27-22)15-4-5-15)23-28-21(29-33-23)16-6-8-17(9-7-16)30-14(3)11-25-24(30)32/h6-13,15H,4-5H2,1-3H3,(H,25,32)
InChIKeyJWBAIBQSTCHKKW-UHFFFAOYSA-N
MW441.50 g/mol
LogP4.39
Rot. Bonds5

About 3-[4-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one

3-[4-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one (PubChem CID 166213616) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is 3-[4-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[4-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one
PubChem CID166213616
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name3-[4-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one
SMILESCc1c[nH]c(=O)n1-c1ccc(-c2noc(-c3cc(C4CC4)nc4c3cnn4C(C)C)n2)cc1
InChIInChI=1S/C24H23N7O2/c1-13(2)31-22-19(12-26-31)18(10-20(27-22)15-4-5-15)23-28-21(29-33-23)16-6-8-17(9-7-16)30-14(3)11-25-24(30)32/h6-13,15H,4-5H2,1-3H3,(H,25,32)
InChIKeyJWBAIBQSTCHKKW-UHFFFAOYSA-N
XLogP4.39
TPSA107.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[4-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one with MolForge

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Related Compounds

1-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863351
3-[4-[5-(2-fluoro-5-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one
CID 138008057
3-[4-[5-(2-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one
CID 167877088
3-[4-[5-(5-bromo-4-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one
CID 138008097
3-[4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methyl-1H-imidazol-2-one
CID 139022339
5-[6-cyclopropyl-1-[(1S)-1-cyclopropylethyl]pyrazolo[5,4-b]pyridin-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 97212063
1-[5-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854020
6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 120828271
6-cyclopropyl-N-[(1R,2S)-2-fluorocyclopropyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 155957595
6-cyclopropyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120828270
1-[5-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863440
6-cyclopropyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 86872710

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one?
The IUPAC name of 3-[4-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one (CID 166213616) is 3-[4-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one.
What is the SMILES notation for 3-[4-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one?
The canonical SMILES for 3-[4-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one is Cc1c[nH]c(=O)n1-c1ccc(-c2noc(-c3cc(C4CC4)nc4c3cnn4C(C)C)n2)cc1.
What is the InChIKey of 3-[4-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one?
The InChIKey is JWBAIBQSTCHKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-13(2)31-22-19(12-26-31)18(10-20(27-22)15-4-5-15)23-28-21(29-33-23)16-6-8-17(9-7-16)30-14(3)11-25-24(30)32/h6-13,15H,4-5H2,1-3H3,(H,25,32).
What are the key properties of 3-[4-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one?
3-[4-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one has a molecular weight of 441.50 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one is sourced from PubChem (CID 166213616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).