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

C29H32N8O2 — CID 146437173

IUPAC3-tert-butyl-N-[(1S)-6-[2-(1-propan-2-ylpyrazol-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)n1cc(-c2nc3nccc(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cn1
InChIInChI=1S/C29H32N8O2/c1-16(2)37-15-19(14-31-37)24-33-23-21(11-12-30-25(23)34-24)18-9-10-20-17(13-18)7-6-8-22(20)32-26(38)27-35-28(36-39-27)29(3,4)5/h9-16,22H,6-8H2,1-5H3,(H,32,38)(H,30,33,34)/t22-/m0/s1
InChIKeyMKHCINHUUVRNIS-QFIPXVFZSA-N
MW524.63 g/mol
LogP5.56
Rot. Bonds5

About 3-tert-butyl-N-[(1S)-6-[2-(1-propan-2-ylpyrazol-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-propan-2-ylpyrazol-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 146437173) has the molecular formula C29H32N8O2 and a molecular weight of 524.63 g/mol. Its IUPAC name is 3-tert-butyl-N-[(1S)-6-[2-(1-propan-2-ylpyrazol-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-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID146437173
Molecular FormulaC29H32N8O2
Molecular Weight524.63 g/mol
Exact Mass524.26
IUPAC Name3-tert-butyl-N-[(1S)-6-[2-(1-propan-2-ylpyrazol-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)n1cc(-c2nc3nccc(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cn1
InChIInChI=1S/C29H32N8O2/c1-16(2)37-15-19(14-31-37)24-33-23-21(11-12-30-25(23)34-24)18-9-10-20-17(13-18)7-6-8-22(20)32-26(38)27-35-28(36-39-27)29(3,4)5/h9-16,22H,6-8H2,1-5H3,(H,32,38)(H,30,33,34)/t22-/m0/s1
InChIKeyMKHCINHUUVRNIS-QFIPXVFZSA-N
XLogP5.56
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.63
LogP ≤ 55.56
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-propan-2-ylpyrazol-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-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide (CID 146437173) is 3-tert-butyl-N-[(1S)-6-[2-(1-propan-2-ylpyrazol-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-propan-2-ylpyrazol-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-propan-2-ylpyrazol-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)n1cc(-c2nc3nccc(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4nc(C(C)(C)C)no4)c3[nH]2)cn1.
What is the InChIKey of 3-tert-butyl-N-[(1S)-6-[2-(1-propan-2-ylpyrazol-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 MKHCINHUUVRNIS-QFIPXVFZSA-N. The full InChI is InChI=1S/C29H32N8O2/c1-16(2)37-15-19(14-31-37)24-33-23-21(11-12-30-25(23)34-24)18-9-10-20-17(13-18)7-6-8-22(20)32-26(38)27-35-28(36-39-27)29(3,4)5/h9-16,22H,6-8H2,1-5H3,(H,32,38)(H,30,33,34)/t22-/m0/s1.
What are the key properties of 3-tert-butyl-N-[(1S)-6-[2-(1-propan-2-ylpyrazol-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-propan-2-ylpyrazol-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 524.63 g/mol, XLogP of 5.56, 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-propan-2-ylpyrazol-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 146437173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).