3-tert-butyl-N-[6-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide

C31H34N8O3 — CID 146437167

IUPAC3-tert-butyl-N-[6-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)(C)c1noc(C(=O)NC2CCCc3cc(-c4ccnc5nc(-c6cnn(C7CCOCC7)c6)[nH]c45)ccc32)n1
InChIInChI=1S/C31H34N8O3/c1-31(2,3)30-37-29(42-38-30)28(40)34-24-6-4-5-18-15-19(7-8-22(18)24)23-9-12-32-27-25(23)35-26(36-27)20-16-33-39(17-20)21-10-13-41-14-11-21/h7-9,12,15-17,21,24H,4-6,10-11,13-14H2,1-3H3,(H,34,40)(H,32,35,36)
InChIKeyWHASZSIQSYUKGT-UHFFFAOYSA-N
MW566.67 g/mol
LogP5.33
Rot. Bonds5

About 3-tert-butyl-N-[6-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide

3-tert-butyl-N-[6-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 146437167) has the molecular formula C31H34N8O3 and a molecular weight of 566.67 g/mol. Its IUPAC name is 3-tert-butyl-N-[6-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[6-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID146437167
Molecular FormulaC31H34N8O3
Molecular Weight566.67 g/mol
Exact Mass566.28
IUPAC Name3-tert-butyl-N-[6-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)(C)c1noc(C(=O)NC2CCCc3cc(-c4ccnc5nc(-c6cnn(C7CCOCC7)c6)[nH]c45)ccc32)n1
InChIInChI=1S/C31H34N8O3/c1-31(2,3)30-37-29(42-38-30)28(40)34-24-6-4-5-18-15-19(7-8-22(18)24)23-9-12-32-27-25(23)35-26(36-27)20-16-33-39(17-20)21-10-13-41-14-11-21/h7-9,12,15-17,21,24H,4-6,10-11,13-14H2,1-3H3,(H,34,40)(H,32,35,36)
InChIKeyWHASZSIQSYUKGT-UHFFFAOYSA-N
XLogP5.33
TPSA136.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.67
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-tert-butyl-N-[6-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-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-[6-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-N-[6-[2-[1-(oxan-4-yl)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 146437167) is 3-tert-butyl-N-[6-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[6-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[6-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide is CC(C)(C)c1noc(C(=O)NC2CCCc3cc(-c4ccnc5nc(-c6cnn(C7CCOCC7)c6)[nH]c45)ccc32)n1.
What is the InChIKey of 3-tert-butyl-N-[6-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is WHASZSIQSYUKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N8O3/c1-31(2,3)30-37-29(42-38-30)28(40)34-24-6-4-5-18-15-19(7-8-22(18)24)23-9-12-32-27-25(23)35-26(36-27)20-16-33-39(17-20)21-10-13-41-14-11-21/h7-9,12,15-17,21,24H,4-6,10-11,13-14H2,1-3H3,(H,34,40)(H,32,35,36).
What are the key properties of 3-tert-butyl-N-[6-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide?
3-tert-butyl-N-[6-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 566.67 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[6-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 146437167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).