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

C31H35N7O2 — CID 167576456

IUPAC3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1c(C2=Nc3nccc(-c4ccc5c(c4)CCCC5NC(=O)c4nc(C(C)(C)C)no4)c3C2)cnn1C(C)C
InChIInChI=1S/C31H35N7O2/c1-17(2)38-18(3)24(16-33-38)26-15-23-21(12-13-32-27(23)34-26)20-10-11-22-19(14-20)8-7-9-25(22)35-28(39)29-36-30(37-40-29)31(4,5)6/h10-14,16-17,25H,7-9,15H2,1-6H3,(H,35,39)
InChIKeyWBTKXDIWIWLESM-UHFFFAOYSA-N
MW537.67 g/mol
LogP6.00
Rot. Bonds5

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

3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 167576456) has the molecular formula C31H35N7O2 and a molecular weight of 537.67 g/mol. Its IUPAC name is 3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID167576456
Molecular FormulaC31H35N7O2
Molecular Weight537.67 g/mol
Exact Mass537.29
IUPAC Name3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1c(C2=Nc3nccc(-c4ccc5c(c4)CCCC5NC(=O)c4nc(C(C)(C)C)no4)c3C2)cnn1C(C)C
InChIInChI=1S/C31H35N7O2/c1-17(2)38-18(3)24(16-33-38)26-15-23-21(12-13-32-27(23)34-26)20-10-11-22-19(14-20)8-7-9-25(22)35-28(39)29-36-30(37-40-29)31(4,5)6/h10-14,16-17,25H,7-9,15H2,1-6H3,(H,35,39)
InChIKeyWBTKXDIWIWLESM-UHFFFAOYSA-N
XLogP6.00
TPSA111.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.67
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-tert-butyl-N-({2-fluoro-4-[2-(1-methyl-1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide
CID 121249896
3-tert-butyl-N-[(5R)-2-{2-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-3H-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 146437124
3-tert-butyl-N-[(1S)-6-{2-[3-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
CID 146437256
3-tert-butyl-N-[(1S)-6-{2-[5-methyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
CID 146437264
3-tert-butyl-N-[(1R)-6-{2-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide
CID 146437414
5-(tert-butyl)-N-(2-(2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-1,2,4-oxadiazole-3-carboxamide
CID 135355838
5-(tert-butyl)-4-methyl-N-(2-(2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-4H-1,2,4-triazole-3-carboxamide
CID 135355927
3-tert-butyl-N-[(5R)-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide
CID 135356003
3-(tert-butyl)-N-(2-(2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-1,2,4-oxadiazole-5-carboxamide
CID 135356007
5-tert-butyl-N-[(5R)-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-3-carboxamide
CID 135356032
3-tert-butyl-N-[(1R)-6-[2-(3,5-dimethyl-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 146437122
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

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide (CID 167576456) is 3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide is Cc1c(C2=Nc3nccc(-c4ccc5c(c4)CCCC5NC(=O)c4nc(C(C)(C)C)no4)c3C2)cnn1C(C)C.
What is the InChIKey of 3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is WBTKXDIWIWLESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N7O2/c1-17(2)38-18(3)24(16-33-38)26-15-23-21(12-13-32-27(23)34-26)20-10-11-22-19(14-20)8-7-9-25(22)35-28(39)29-36-30(37-40-29)31(4,5)6/h10-14,16-17,25H,7-9,15H2,1-6H3,(H,35,39).
What are the key properties of 3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide?
3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 537.67 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[6-[2-(5-methyl-1-propan-2-ylpyrazol-4-yl)-3H-pyrrolo[2,3-b]pyridin-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 167576456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).