tert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate

C28H30FN9O4 — CID 121249893

IUPACtert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate
SMILESCn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5noc(C(C)(C)NC(=O)OC(C)(C)C)n5)c(F)c4)c3[nH]2)cn1
InChIInChI=1S/C28H30FN9O4/c1-27(2,3)41-26(40)36-28(4,5)25-35-23(37-42-25)24(39)31-12-16-8-7-15(11-19(16)29)18-9-10-30-22-20(18)33-21(34-22)17-13-32-38(6)14-17/h7-11,13-14H,12H2,1-6H3,(H,31,39)(H,36,40)(H,30,33,34)
InChIKeyOGKPRQJBHNBHFA-UHFFFAOYSA-N
MW575.61 g/mol
LogP4.24
Rot. Bonds7

About tert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate

tert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate (PubChem CID 121249893) has the molecular formula C28H30FN9O4 and a molecular weight of 575.61 g/mol. Its IUPAC name is tert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate
PubChem CID121249893
Molecular FormulaC28H30FN9O4
Molecular Weight575.61 g/mol
Exact Mass575.24
IUPAC Nametert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate
SMILESCn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5noc(C(C)(C)NC(=O)OC(C)(C)C)n5)c(F)c4)c3[nH]2)cn1
InChIInChI=1S/C28H30FN9O4/c1-27(2,3)41-26(40)36-28(4,5)25-35-23(37-42-25)24(39)31-12-16-8-7-15(11-19(16)29)18-9-10-30-22-20(18)33-21(34-22)17-13-32-38(6)14-17/h7-11,13-14H,12H2,1-6H3,(H,31,39)(H,36,40)(H,30,33,34)
InChIKeyOGKPRQJBHNBHFA-UHFFFAOYSA-N
XLogP4.24
TPSA165.74 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.61
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze tert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate (CID 121249893) is tert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate is Cn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5noc(C(C)(C)NC(=O)OC(C)(C)C)n5)c(F)c4)c3[nH]2)cn1.
What is the InChIKey of tert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate?
The InChIKey is OGKPRQJBHNBHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN9O4/c1-27(2,3)41-26(40)36-28(4,5)25-35-23(37-42-25)24(39)31-12-16-8-7-15(11-19(16)29)18-9-10-30-22-20(18)33-21(34-22)17-13-32-38(6)14-17/h7-11,13-14H,12H2,1-6H3,(H,31,39)(H,36,40)(H,30,33,34).
What are the key properties of tert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate?
tert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate has a molecular weight of 575.61 g/mol, XLogP of 4.24, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate is sourced from PubChem (CID 121249893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).