3-tert-butyl-N-[2-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide

C32H36N8O3 — CID 146437193

IUPAC3-tert-butyl-N-[2-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)(C)c1noc(C(=O)NC2CCCCc3cc(-c4ccnc5nc(-c6cnn(C7CCOCC7)c6)[nH]c45)ccc32)n1
InChIInChI=1S/C32H36N8O3/c1-32(2,3)31-38-30(43-39-31)29(41)35-25-7-5-4-6-19-16-20(8-9-23(19)25)24-10-13-33-28-26(24)36-27(37-28)21-17-34-40(18-21)22-11-14-42-15-12-22/h8-10,13,16-18,22,25H,4-7,11-12,14-15H2,1-3H3,(H,35,41)(H,33,36,37)
InChIKeyLDFQSQNRJALLSX-UHFFFAOYSA-N
MW580.69 g/mol
LogP5.72
Rot. Bonds5

About 3-tert-butyl-N-[2-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide

3-tert-butyl-N-[2-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 146437193) has the molecular formula C32H36N8O3 and a molecular weight of 580.69 g/mol. Its IUPAC name is 3-tert-butyl-N-[2-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[2-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID146437193
Molecular FormulaC32H36N8O3
Molecular Weight580.69 g/mol
Exact Mass580.29
IUPAC Name3-tert-butyl-N-[2-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)(C)c1noc(C(=O)NC2CCCCc3cc(-c4ccnc5nc(-c6cnn(C7CCOCC7)c6)[nH]c45)ccc32)n1
InChIInChI=1S/C32H36N8O3/c1-32(2,3)31-38-30(43-39-31)29(41)35-25-7-5-4-6-19-16-20(8-9-23(19)25)24-10-13-33-28-26(24)36-27(37-28)21-17-34-40(18-21)22-11-14-42-15-12-22/h8-10,13,16-18,22,25H,4-7,11-12,14-15H2,1-3H3,(H,35,41)(H,33,36,37)
InChIKeyLDFQSQNRJALLSX-UHFFFAOYSA-N
XLogP5.72
TPSA136.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.69
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-tert-butyl-N-[2-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-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-[2-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-N-[2-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-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 146437193) is 3-tert-butyl-N-[2-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[2-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[2-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide is CC(C)(C)c1noc(C(=O)NC2CCCCc3cc(-c4ccnc5nc(-c6cnn(C7CCOCC7)c6)[nH]c45)ccc32)n1.
What is the InChIKey of 3-tert-butyl-N-[2-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is LDFQSQNRJALLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N8O3/c1-32(2,3)31-38-30(43-39-31)29(41)35-25-7-5-4-6-19-16-20(8-9-23(19)25)24-10-13-33-28-26(24)36-27(37-28)21-17-34-40(18-21)22-11-14-42-15-12-22/h8-10,13,16-18,22,25H,4-7,11-12,14-15H2,1-3H3,(H,35,41)(H,33,36,37).
What are the key properties of 3-tert-butyl-N-[2-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide?
3-tert-butyl-N-[2-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 580.69 g/mol, XLogP of 5.72, 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-[2-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 146437193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).