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

C24H24N8O3 — CID 121249787

IUPAC5-tert-butyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCn1cc(-c2nc3nccc(-c4cccc(NC(=O)c5noc(C(C)(C)C)n5)c4CO)c3[nH]2)cn1
InChIInChI=1S/C24H24N8O3/c1-24(2,3)23-30-21(31-35-23)22(34)27-17-7-5-6-14(16(17)12-33)15-8-9-25-20-18(15)28-19(29-20)13-10-26-32(4)11-13/h5-11,33H,12H2,1-4H3,(H,27,34)(H,25,28,29)
InChIKeyZECLLIXPRHOYSR-UHFFFAOYSA-N
MW472.51 g/mol
LogP3.45
Rot. Bonds5

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

5-tert-butyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 121249787) has the molecular formula C24H24N8O3 and a molecular weight of 472.51 g/mol. Its IUPAC name is 5-tert-butyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID121249787
Molecular FormulaC24H24N8O3
Molecular Weight472.51 g/mol
Exact Mass472.20
IUPAC Name5-tert-butyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCn1cc(-c2nc3nccc(-c4cccc(NC(=O)c5noc(C(C)(C)C)n5)c4CO)c3[nH]2)cn1
InChIInChI=1S/C24H24N8O3/c1-24(2,3)23-30-21(31-35-23)22(34)27-17-7-5-6-14(16(17)12-33)15-8-9-25-20-18(15)28-19(29-20)13-10-26-32(4)11-13/h5-11,33H,12H2,1-4H3,(H,27,34)(H,25,28,29)
InChIKeyZECLLIXPRHOYSR-UHFFFAOYSA-N
XLogP3.45
TPSA147.64 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide (CID 121249787) is 5-tert-butyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide is Cn1cc(-c2nc3nccc(-c4cccc(NC(=O)c5noc(C(C)(C)C)n5)c4CO)c3[nH]2)cn1.
What is the InChIKey of 5-tert-butyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is ZECLLIXPRHOYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O3/c1-24(2,3)23-30-21(31-35-23)22(34)27-17-7-5-6-14(16(17)12-33)15-8-9-25-20-18(15)28-19(29-20)13-10-26-32(4)11-13/h5-11,33H,12H2,1-4H3,(H,27,34)(H,25,28,29).
What are the key properties of 5-tert-butyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide?
5-tert-butyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 472.51 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 121249787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).