3-tert-butyl-N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide

C26H26N8O2 — CID 121261472

IUPAC3-tert-butyl-N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCn1cc(-c2nc3nccc(-c4ccc(C5(NC(=O)c6nc(C(C)(C)C)no6)CC5)cc4)c3[nH]2)cn1
InChIInChI=1S/C26H26N8O2/c1-25(2,3)24-31-23(36-33-24)22(35)32-26(10-11-26)17-7-5-15(6-8-17)18-9-12-27-21-19(18)29-20(30-21)16-13-28-34(4)14-16/h5-9,12-14H,10-11H2,1-4H3,(H,32,35)(H,27,29,30)
InChIKeyHOUYDIVIHVIARV-UHFFFAOYSA-N
MW482.55 g/mol
LogP4.12
Rot. Bonds5

About 3-tert-butyl-N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide

3-tert-butyl-N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 121261472) has the molecular formula C26H26N8O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is 3-tert-butyl-N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID121261472
Molecular FormulaC26H26N8O2
Molecular Weight482.55 g/mol
Exact Mass482.22
IUPAC Name3-tert-butyl-N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCn1cc(-c2nc3nccc(-c4ccc(C5(NC(=O)c6nc(C(C)(C)C)no6)CC5)cc4)c3[nH]2)cn1
InChIInChI=1S/C26H26N8O2/c1-25(2,3)24-31-23(36-33-24)22(35)32-26(10-11-26)17-7-5-15(6-8-17)18-9-12-27-21-19(18)29-20(30-21)16-13-28-34(4)14-16/h5-9,12-14H,10-11H2,1-4H3,(H,32,35)(H,27,29,30)
InChIKeyHOUYDIVIHVIARV-UHFFFAOYSA-N
XLogP4.12
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-tert-butyl-N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide (CID 121261472) is 3-tert-butyl-N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide is Cn1cc(-c2nc3nccc(-c4ccc(C5(NC(=O)c6nc(C(C)(C)C)no6)CC5)cc4)c3[nH]2)cn1.
What is the InChIKey of 3-tert-butyl-N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is HOUYDIVIHVIARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O2/c1-25(2,3)24-31-23(36-33-24)22(35)32-26(10-11-26)17-7-5-15(6-8-17)18-9-12-27-21-19(18)29-20(30-21)16-13-28-34(4)14-16/h5-9,12-14H,10-11H2,1-4H3,(H,32,35)(H,27,29,30).
What are the key properties of 3-tert-butyl-N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide?
3-tert-butyl-N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 482.55 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[1-[4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 121261472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).