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

C27H28N8O2 — CID 146437192

IUPAC5-tert-butyl-N-[6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide
SMILESCn1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC5NC(=O)c4nnc(C(C)(C)C)o4)c3[nH]2)cn1
InChIInChI=1S/C27H28N8O2/c1-27(2,3)26-34-33-25(37-26)24(36)30-20-7-5-6-15-12-16(8-9-18(15)20)19-10-11-28-23-21(19)31-22(32-23)17-13-29-35(4)14-17/h8-14,20H,5-7H2,1-4H3,(H,30,36)(H,28,31,32)
InChIKeyPXZFOBQJMUKERW-UHFFFAOYSA-N
MW496.58 g/mol
LogP4.51
Rot. Bonds4

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

5-tert-butyl-N-[6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 146437192) has the molecular formula C27H28N8O2 and a molecular weight of 496.58 g/mol. Its IUPAC name is 5-tert-butyl-N-[6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID146437192
Molecular FormulaC27H28N8O2
Molecular Weight496.58 g/mol
Exact Mass496.23
IUPAC Name5-tert-butyl-N-[6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide
SMILESCn1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC5NC(=O)c4nnc(C(C)(C)C)o4)c3[nH]2)cn1
InChIInChI=1S/C27H28N8O2/c1-27(2,3)26-34-33-25(37-26)24(36)30-20-7-5-6-15-12-16(8-9-18(15)20)19-10-11-28-23-21(19)31-22(32-23)17-13-29-35(4)14-17/h8-14,20H,5-7H2,1-4H3,(H,30,36)(H,28,31,32)
InChIKeyPXZFOBQJMUKERW-UHFFFAOYSA-N
XLogP4.51
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.58
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-[6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide (CID 146437192) is 5-tert-butyl-N-[6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide is Cn1cc(-c2nc3nccc(-c4ccc5c(c4)CCCC5NC(=O)c4nnc(C(C)(C)C)o4)c3[nH]2)cn1.
What is the InChIKey of 5-tert-butyl-N-[6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is PXZFOBQJMUKERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8O2/c1-27(2,3)26-34-33-25(37-26)24(36)30-20-7-5-6-15-12-16(8-9-18(15)20)19-10-11-28-23-21(19)31-22(32-23)17-13-29-35(4)14-17/h8-14,20H,5-7H2,1-4H3,(H,30,36)(H,28,31,32).
What are the key properties of 5-tert-butyl-N-[6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide?
5-tert-butyl-N-[6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 496.58 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 146437192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).