3-tert-butyl-N-[(1S)-6-[2-(3-methyl-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

C30H34N8O2 — CID 146437198

IUPAC3-tert-butyl-N-[(1S)-6-[2-(3-methyl-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
SMILESCc1nn(C(C)C)cc1-c1nc2nccc(-c3ccc4c(c3)CCC[C@@H]4NC(=O)c3nc(C(C)(C)C)no3)c2[nH]1
InChIInChI=1S/C30H34N8O2/c1-16(2)38-15-22(17(3)36-38)25-33-24-21(12-13-31-26(24)34-25)19-10-11-20-18(14-19)8-7-9-23(20)32-27(39)28-35-29(37-40-28)30(4,5)6/h10-16,23H,7-9H2,1-6H3,(H,32,39)(H,31,33,34)/t23-/m0/s1
InChIKeyMJVJJAPVHAVMGV-QHCPKHFHSA-N
MW538.66 g/mol
LogP5.87
Rot. Bonds5

About 3-tert-butyl-N-[(1S)-6-[2-(3-methyl-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-(3-methyl-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 146437198) has the molecular formula C30H34N8O2 and a molecular weight of 538.66 g/mol. Its IUPAC name is 3-tert-butyl-N-[(1S)-6-[2-(3-methyl-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-(3-methyl-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 CID146437198
Molecular FormulaC30H34N8O2
Molecular Weight538.66 g/mol
Exact Mass538.28
IUPAC Name3-tert-butyl-N-[(1S)-6-[2-(3-methyl-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
SMILESCc1nn(C(C)C)cc1-c1nc2nccc(-c3ccc4c(c3)CCC[C@@H]4NC(=O)c3nc(C(C)(C)C)no3)c2[nH]1
InChIInChI=1S/C30H34N8O2/c1-16(2)38-15-22(17(3)36-38)25-33-24-21(12-13-31-26(24)34-25)19-10-11-20-18(14-19)8-7-9-23(20)32-27(39)28-35-29(37-40-28)30(4,5)6/h10-16,23H,7-9H2,1-6H3,(H,32,39)(H,31,33,34)/t23-/m0/s1
InChIKeyMJVJJAPVHAVMGV-QHCPKHFHSA-N
XLogP5.87
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.66
LogP ≤ 55.87
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-(3-methyl-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-(3-methyl-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 146437198) is 3-tert-butyl-N-[(1S)-6-[2-(3-methyl-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-(3-methyl-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-(3-methyl-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 Cc1nn(C(C)C)cc1-c1nc2nccc(-c3ccc4c(c3)CCC[C@@H]4NC(=O)c3nc(C(C)(C)C)no3)c2[nH]1.
What is the InChIKey of 3-tert-butyl-N-[(1S)-6-[2-(3-methyl-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 MJVJJAPVHAVMGV-QHCPKHFHSA-N. The full InChI is InChI=1S/C30H34N8O2/c1-16(2)38-15-22(17(3)36-38)25-33-24-21(12-13-31-26(24)34-25)19-10-11-20-18(14-19)8-7-9-23(20)32-27(39)28-35-29(37-40-28)30(4,5)6/h10-16,23H,7-9H2,1-6H3,(H,32,39)(H,31,33,34)/t23-/m0/s1.
What are the key properties of 3-tert-butyl-N-[(1S)-6-[2-(3-methyl-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-(3-methyl-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 538.66 g/mol, XLogP of 5.87, 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-(3-methyl-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 146437198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).