5-tert-butyl-N-[(1S)-6-[2-(5-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-3-carboxamide;3-(1-methylcyclopropyl)-N-[(1R)-6-[2-(5-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-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-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

C90H98N24O6 — CID 167679119

IUPAC5-tert-butyl-N-[(1S)-6-[2-(5-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-3-carboxamide;3-(1-methylcyclopropyl)-N-[(1R)-6-[2-(5-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-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-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
SMILESCc1c(-c2nc3nccc(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4nc(C5(C)CC5)no4)c3[nH]2)cnn1C(C)C.Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4noc(C(C)(C)C)n4)c3[nH]2)cnn1C(C)C.Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCC[C@H]5NC(=O)c4nc(C5(C)CC5)no4)c3[nH]2)cnn1C(C)C
InChIInChI=1S/2C30H32N8O2.C30H34N8O2/c2*1-16(2)38-17(3)22(15-32-38)25-34-24-21(10-13-31-26(24)35-25)19-8-9-20-18(14-19)6-5-7-23(20)33-27(39)28-36-29(37-40-28)30(4)11-12-30;1-16(2)38-17(3)22(15-32-38)25-34-24-21(12-13-31-26(24)35-25)19-10-11-20-18(14-19)8-7-9-23(20)33-28(39)27-36-29(40-37-27)30(4,5)6/h2*8-10,13-16,23H,5-7,11-12H2,1-4H3,(H,33,39)(H,31,34,35);10-16,23H,7-9H2,1-6H3,(H,33,39)(H,31,34,35)/t3*23-/m100/s1
InChIKeyVGKSEJKQJFEWLW-ZYWIDCHYSA-N
MW1611.94 g/mol
LogP17.10
Rot. Bonds17

About 5-tert-butyl-N-[(1S)-6-[2-(5-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-3-carboxamide;3-(1-methylcyclopropyl)-N-[(1R)-6-[2-(5-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-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-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

5-tert-butyl-N-[(1S)-6-[2-(5-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-3-carboxamide;3-(1-methylcyclopropyl)-N-[(1R)-6-[2-(5-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-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-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 167679119) has the molecular formula C90H98N24O6 and a molecular weight of 1611.94 g/mol. Its IUPAC name is 5-tert-butyl-N-[(1S)-6-[2-(5-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-3-carboxamide;3-(1-methylcyclopropyl)-N-[(1R)-6-[2-(5-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-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-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 Name5-tert-butyl-N-[(1S)-6-[2-(5-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-3-carboxamide;3-(1-methylcyclopropyl)-N-[(1R)-6-[2-(5-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-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-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 CID167679119
Molecular FormulaC90H98N24O6
Molecular Weight1611.94 g/mol
Exact Mass1610.81
IUPAC Name5-tert-butyl-N-[(1S)-6-[2-(5-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-3-carboxamide;3-(1-methylcyclopropyl)-N-[(1R)-6-[2-(5-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-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-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
SMILESCc1c(-c2nc3nccc(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4nc(C5(C)CC5)no4)c3[nH]2)cnn1C(C)C.Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4noc(C(C)(C)C)n4)c3[nH]2)cnn1C(C)C.Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCC[C@H]5NC(=O)c4nc(C5(C)CC5)no4)c3[nH]2)cnn1C(C)C
InChIInChI=1S/2C30H32N8O2.C30H34N8O2/c2*1-16(2)38-17(3)22(15-32-38)25-34-24-21(10-13-31-26(24)35-25)19-8-9-20-18(14-19)6-5-7-23(20)33-27(39)28-36-29(37-40-28)30(4)11-12-30;1-16(2)38-17(3)22(15-32-38)25-34-24-21(12-13-31-26(24)35-25)19-10-11-20-18(14-19)8-7-9-23(20)33-28(39)27-36-29(40-37-27)30(4,5)6/h2*8-10,13-16,23H,5-7,11-12H2,1-4H3,(H,33,39)(H,31,34,35);10-16,23H,7-9H2,1-6H3,(H,33,39)(H,31,34,35)/t3*23-/m100/s1
InChIKeyVGKSEJKQJFEWLW-ZYWIDCHYSA-N
XLogP17.10
TPSA382.23 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds17
Heavy Atoms120
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001611.94
LogP ≤ 517.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze 5-tert-butyl-N-[(1S)-6-[2-(5-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-3-carboxamide;3-(1-methylcyclopropyl)-N-[(1R)-6-[2-(5-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-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(1S)-6-[2-(5-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-3-carboxamide;3-(1-methylcyclopropyl)-N-[(1R)-6-[2-(5-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-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-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 5-tert-butyl-N-[(1S)-6-[2-(5-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-3-carboxamide;3-(1-methylcyclopropyl)-N-[(1R)-6-[2-(5-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-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-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 167679119) is 5-tert-butyl-N-[(1S)-6-[2-(5-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-3-carboxamide;3-(1-methylcyclopropyl)-N-[(1R)-6-[2-(5-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-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-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 5-tert-butyl-N-[(1S)-6-[2-(5-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-3-carboxamide;3-(1-methylcyclopropyl)-N-[(1R)-6-[2-(5-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-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-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 5-tert-butyl-N-[(1S)-6-[2-(5-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-3-carboxamide;3-(1-methylcyclopropyl)-N-[(1R)-6-[2-(5-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-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-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 Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4nc(C5(C)CC5)no4)c3[nH]2)cnn1C(C)C.Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4noc(C(C)(C)C)n4)c3[nH]2)cnn1C(C)C.Cc1c(-c2nc3nccc(-c4ccc5c(c4)CCC[C@H]5NC(=O)c4nc(C5(C)CC5)no4)c3[nH]2)cnn1C(C)C.
What is the InChIKey of 5-tert-butyl-N-[(1S)-6-[2-(5-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-3-carboxamide;3-(1-methylcyclopropyl)-N-[(1R)-6-[2-(5-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-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-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 VGKSEJKQJFEWLW-ZYWIDCHYSA-N. The full InChI is InChI=1S/2C30H32N8O2.C30H34N8O2/c2*1-16(2)38-17(3)22(15-32-38)25-34-24-21(10-13-31-26(24)35-25)19-8-9-20-18(14-19)6-5-7-23(20)33-27(39)28-36-29(37-40-28)30(4)11-12-30;1-16(2)38-17(3)22(15-32-38)25-34-24-21(12-13-31-26(24)35-25)19-10-11-20-18(14-19)8-7-9-23(20)33-28(39)27-36-29(40-37-27)30(4,5)6/h2*8-10,13-16,23H,5-7,11-12H2,1-4H3,(H,33,39)(H,31,34,35);10-16,23H,7-9H2,1-6H3,(H,33,39)(H,31,34,35)/t3*23-/m100/s1.
What are the key properties of 5-tert-butyl-N-[(1S)-6-[2-(5-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-3-carboxamide;3-(1-methylcyclopropyl)-N-[(1R)-6-[2-(5-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-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-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?
5-tert-butyl-N-[(1S)-6-[2-(5-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-3-carboxamide;3-(1-methylcyclopropyl)-N-[(1R)-6-[2-(5-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-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-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 1611.94 g/mol, XLogP of 17.10, 17 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(1S)-6-[2-(5-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-3-carboxamide;3-(1-methylcyclopropyl)-N-[(1R)-6-[2-(5-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-(1-methylcyclopropyl)-N-[(1S)-6-[2-(5-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 167679119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).