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

C29H30N8O2 — CID 146437113

IUPAC3-tert-butyl-N-[(1S)-6-[2-(1-cyclopropylpyrazol-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)N[C@H]2CCCc3cc(-c4ccnc5nc(-c6cnn(C7CC7)c6)[nH]c45)ccc32)n1
InChIInChI=1S/C29H30N8O2/c1-29(2,3)28-35-27(39-36-28)26(38)32-22-6-4-5-16-13-17(7-10-20(16)22)21-11-12-30-25-23(21)33-24(34-25)18-14-31-37(15-18)19-8-9-19/h7,10-15,19,22H,4-6,8-9H2,1-3H3,(H,32,38)(H,30,33,34)/t22-/m0/s1
InChIKeyIVLVRFZZFOMRGC-QFIPXVFZSA-N
MW522.61 g/mol
LogP5.31
Rot. Bonds5

About 3-tert-butyl-N-[(1S)-6-[2-(1-cyclopropylpyrazol-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-[(1S)-6-[2-(1-cyclopropylpyrazol-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 146437113) has the molecular formula C29H30N8O2 and a molecular weight of 522.61 g/mol. Its IUPAC name is 3-tert-butyl-N-[(1S)-6-[2-(1-cyclopropylpyrazol-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-[(1S)-6-[2-(1-cyclopropylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID146437113
Molecular FormulaC29H30N8O2
Molecular Weight522.61 g/mol
Exact Mass522.25
IUPAC Name3-tert-butyl-N-[(1S)-6-[2-(1-cyclopropylpyrazol-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)N[C@H]2CCCc3cc(-c4ccnc5nc(-c6cnn(C7CC7)c6)[nH]c45)ccc32)n1
InChIInChI=1S/C29H30N8O2/c1-29(2,3)28-35-27(39-36-28)26(38)32-22-6-4-5-16-13-17(7-10-20(16)22)21-11-12-30-25-23(21)33-24(34-25)18-14-31-37(15-18)19-8-9-19/h7,10-15,19,22H,4-6,8-9H2,1-3H3,(H,32,38)(H,30,33,34)/t22-/m0/s1
InChIKeyIVLVRFZZFOMRGC-QFIPXVFZSA-N
XLogP5.31
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.61
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[(1S)-6-[2-(1-cyclopropylpyrazol-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-[(1S)-6-[2-(1-cyclopropylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide (CID 146437113) is 3-tert-butyl-N-[(1S)-6-[2-(1-cyclopropylpyrazol-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-[(1S)-6-[2-(1-cyclopropylpyrazol-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-[(1S)-6-[2-(1-cyclopropylpyrazol-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)N[C@H]2CCCc3cc(-c4ccnc5nc(-c6cnn(C7CC7)c6)[nH]c45)ccc32)n1.
What is the InChIKey of 3-tert-butyl-N-[(1S)-6-[2-(1-cyclopropylpyrazol-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 IVLVRFZZFOMRGC-QFIPXVFZSA-N. The full InChI is InChI=1S/C29H30N8O2/c1-29(2,3)28-35-27(39-36-28)26(38)32-22-6-4-5-16-13-17(7-10-20(16)22)21-11-12-30-25-23(21)33-24(34-25)18-14-31-37(15-18)19-8-9-19/h7,10-15,19,22H,4-6,8-9H2,1-3H3,(H,32,38)(H,30,33,34)/t22-/m0/s1.
What are the key properties of 3-tert-butyl-N-[(1S)-6-[2-(1-cyclopropylpyrazol-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-[(1S)-6-[2-(1-cyclopropylpyrazol-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 522.61 g/mol, XLogP of 5.31, 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-[(1S)-6-[2-(1-cyclopropylpyrazol-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 146437113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).