(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,3-dihydroisoindol-2-yl]methanone

C25H24N8O2 — CID 121249756

IUPAC(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,3-dihydroisoindol-2-yl]methanone
SMILESCn1cc(-c2nc3nccc(-c4ccc5c(c4)CN(C(=O)c4nc(C(C)(C)C)no4)C5)c3[nH]2)cn1
InChIInChI=1S/C25H24N8O2/c1-25(2,3)24-30-22(35-31-24)23(34)33-12-15-6-5-14(9-16(15)13-33)18-7-8-26-21-19(18)28-20(29-21)17-10-27-32(4)11-17/h5-11H,12-13H2,1-4H3,(H,26,28,29)
InChIKeyDUQJEJSJVXJSQJ-UHFFFAOYSA-N
MW468.52 g/mol
LogP3.86
Rot. Bonds3

About (3-tert-butyl-1,2,4-oxadiazol-5-yl)-[5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,3-dihydroisoindol-2-yl]methanone

(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,3-dihydroisoindol-2-yl]methanone (PubChem CID 121249756) has the molecular formula C25H24N8O2 and a molecular weight of 468.52 g/mol. Its IUPAC name is (3-tert-butyl-1,2,4-oxadiazol-5-yl)-[5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,3-dihydroisoindol-2-yl]methanone.

Molecular Properties

Compound Name(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,3-dihydroisoindol-2-yl]methanone
PubChem CID121249756
Molecular FormulaC25H24N8O2
Molecular Weight468.52 g/mol
Exact Mass468.20
IUPAC Name(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,3-dihydroisoindol-2-yl]methanone
SMILESCn1cc(-c2nc3nccc(-c4ccc5c(c4)CN(C(=O)c4nc(C(C)(C)C)no4)C5)c3[nH]2)cn1
InChIInChI=1S/C25H24N8O2/c1-25(2,3)24-30-22(35-31-24)23(34)33-12-15-6-5-14(9-16(15)13-33)18-7-8-26-21-19(18)28-20(29-21)17-10-27-32(4)11-17/h5-11H,12-13H2,1-4H3,(H,26,28,29)
InChIKeyDUQJEJSJVXJSQJ-UHFFFAOYSA-N
XLogP3.86
TPSA118.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3-tert-butyl-1,2,4-oxadiazol-5-yl)-[5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,3-dihydroisoindol-2-yl]methanone with MolForge

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Related Compounds

MK-4256
CID 56927659
3-tert-butyl-N-({2-fluoro-4-[2-(1-methyl-1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide
CID 121249896
3-tert-butyl-N-[(5R)-2-{2-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide
CID 146437124
3-tert-butyl-N-[(1S)-6-{2-[3-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
CID 146437256
3-tert-butyl-N-[(1S)-6-{2-[5-methyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
CID 146437264
3-tert-butyl-N-[(1R)-6-{2-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
CID 146437414
US11098041, Example 124
CID 121249831
US11098041, Example 165
CID 121249989
US11098041, Example 116
CID 121249996
US11098041, Example 187
CID 121250008
5-(tert-butyl)-N-(2-(2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-1,2,4-oxadiazole-3-carboxamide
CID 135355838
3-tert-butyl-N-[(5R)-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide
CID 135356003

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1,2,4-oxadiazol-5-yl)-[5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,3-dihydroisoindol-2-yl]methanone?
The IUPAC name of (3-tert-butyl-1,2,4-oxadiazol-5-yl)-[5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,3-dihydroisoindol-2-yl]methanone (CID 121249756) is (3-tert-butyl-1,2,4-oxadiazol-5-yl)-[5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,3-dihydroisoindol-2-yl]methanone.
What is the SMILES notation for (3-tert-butyl-1,2,4-oxadiazol-5-yl)-[5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,3-dihydroisoindol-2-yl]methanone?
The canonical SMILES for (3-tert-butyl-1,2,4-oxadiazol-5-yl)-[5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,3-dihydroisoindol-2-yl]methanone is Cn1cc(-c2nc3nccc(-c4ccc5c(c4)CN(C(=O)c4nc(C(C)(C)C)no4)C5)c3[nH]2)cn1.
What is the InChIKey of (3-tert-butyl-1,2,4-oxadiazol-5-yl)-[5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,3-dihydroisoindol-2-yl]methanone?
The InChIKey is DUQJEJSJVXJSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O2/c1-25(2,3)24-30-22(35-31-24)23(34)33-12-15-6-5-14(9-16(15)13-33)18-7-8-26-21-19(18)28-20(29-21)17-10-27-32(4)11-17/h5-11H,12-13H2,1-4H3,(H,26,28,29).
What are the key properties of (3-tert-butyl-1,2,4-oxadiazol-5-yl)-[5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,3-dihydroisoindol-2-yl]methanone?
(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,3-dihydroisoindol-2-yl]methanone has a molecular weight of 468.52 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-1,2,4-oxadiazol-5-yl)-[5-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,3-dihydroisoindol-2-yl]methanone is sourced from PubChem (CID 121249756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).